Structure

p-tert-Butoxystyrene

CAS
95418-58-9
Catalog Number
ACM95418589
Category
Polymer/Macromolecule
Molecular Weight
176.259g/mol
Molecular Formula
C12H16O;

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Specification

Synonyms
p-t-butoxy styrene; 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene; 1-(tert-butoxy)-4-ethenylbenzene; AC1LB71A; FT-0659238; I14-7412; MCULE-5183242438; DTXSID30341978; 1-tert-Butoxy-4-vinylbenzene; AC1Q56R0;
IUPAC Name
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;
Canonical SMILES
CC(C)(C)OC1=CC=C(C=C1)C=C;
InChI
InChI=1S/C12H16O/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h5-9H,1H2,2-4H3;
InChI Key
GRFNSWBVXHLTCI-UHFFFAOYSA-N;
Complexity
159
Covalently-Bonded Unit Count
1
Exact Mass
176.12g/mol
H-Bond Acceptor
1
Heavy Atom Count
13
Monoisotopic Mass
176.12g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
9.2A^2
What is the molecular formula of p-tert-Butoxystyrene?

The molecular formula of p-tert-Butoxystyrene is C12H16O.

What are the synonyms of p-tert-Butoxystyrene?

The synonyms of p-tert-Butoxystyrene are 4-tert-Butoxystyrene, 95418-58-9, 4-t-Butoxystyrene, and p-tert-butoxystyrene.

What is the molecular weight of p-tert-Butoxystyrene?

The molecular weight of p-tert-Butoxystyrene is 176.25 g/mol.

What is the IUPAC name of p-tert-Butoxystyrene?

The IUPAC name of p-tert-Butoxystyrene is 1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene.

What is the InChI of p-tert-Butoxystyrene?

The InChI of p-tert-Butoxystyrene is InChI=1S/C12H16O/c1-5-10-6-8-11(9-7-10)13-12(2,3)4/h5-9H,1H2,2-4H3.

What is the InChIKey of p-tert-Butoxystyrene?

The InChIKey of p-tert-Butoxystyrene is GRFNSWBVXHLTCI-UHFFFAOYSA-N.

What is the canonical SMILES of p-tert-Butoxystyrene?

The canonical SMILES of p-tert-Butoxystyrene is CC(C)(C)OC1=CC=C(C=C1)C=C.

What is the XLogP3-AA value of p-tert-Butoxystyrene?

The XLogP3-AA value of p-tert-Butoxystyrene is 3.7.

How many hydrogen bond donor count does p-tert-Butoxystyrene have?

p-tert-Butoxystyrene has 0 hydrogen bond donor count.

How many rotatable bond count does p-tert-Butoxystyrene have?

p-tert-Butoxystyrene has 3 rotatable bond count.

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