[1-(2-Propen-1-yloxy)-3-buten-1-yl]benzene

CAS
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Purity
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CAS
98088-48-3
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM98088483

Product Name

[1-(2-Propen-1-yloxy)-3-buten-1-yl]benzene

Structure

Structure

CAS

98088-48-3

Category

Heterocyclic Organic Compound

Synonyms

(1-ALLYLOXY-BUT-3-ENYL)-BENZENE, 98088-48-3, [1-(Allyloxy)-3-butenyl]benzene, AC1LBGI1, SureCN7760225, CTK5H9708, 1-prop-2-enoxybut-3-enylbenzene, AKOS006289346, AG-H-98844, Benzene, [1-(2-propenyloxy)-3-butenyl]-

IUPAC Name

1-prop-2-enoxybut-3-enylbenzene

Molecular Weight

188.265540 [g/mol]

Molecular Formula

C13H16O

Canonical SMILES

C=CCC(C1=CC=CC=C1)OCC=C

InChI Key

VQJJJPBNIXFEFB-UHFFFAOYSA-N

Exact Mass

188.12000

H-Bond Acceptor

1

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the IUPAC name of the compound?

1-prop-2-enoxybut-3-enylbenzene.

What is the molecular weight of the compound?

The molecular weight of the compound is 188.26 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H16O/c1-3-8-13(14-11-4-2)12-9-6-5-7-10-12/h3-7,9-10,13H,1-2,8,11H2.

What is the InChIKey of the compound?

The InChIKey of the compound is VQJJJPBNIXFEFB-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C=CCC(C1=CC=CC=C1)OCC=C.

What is the CAS number of the compound?

The CAS number of the compound is 98088-48-3.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 3.4.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many rotatable bond counts does the compound have?

The compound has 6 rotatable bond counts.

Is the compound a canonicalized compound?

Yes, the compound is canonicalized.

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