Structure

1,2-Bis(di-tert-butylphosphino)ethane

CAS
107783-62-0
Catalog Number
ACM107783620-1
Category
Other Phosphine Ligands
Molecular Weight
318.47
Molecular Formula
C18H40P2

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Specification

Synonyms
PubChem24206; 107783-62-0; 1,2-BIS(DI-TERT-BUTYLPHOSPHINO)ETHANE; MFCD01074550; Ethylenebis(di-tert-butylphosphine); AC1LBFGG; 1,2-bis-(Ditert-butylphosphino)ethane; ditert-butyl(2-ditert-butylphosphanylethyl)phosphane; DB-009432; ZINC2572417
IUPAC Name
Ditert-butyl(2-ditert-butylphosphanylethyl)phosphane
SMILES
CC(C)(C)P(CCP(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C18H40P2/c1-15(2,3)19(16(4,5)6)13-14-20(17(7,8)9)18(10,11)12/h13-14H2,1-12H3
InChI Key
MWVXFEZPEPOQRE-UHFFFAOYSA-N
Complexity
231
Covalently-Bonded Unit Count
1
Exact Mass
318.261g/mol
Heavy Atom Count
20
Monoisotopic Mass
318.261g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
0A^2
What is the IUPAC name of the compound?

ditert-butyl(2-ditert-butylphosphanylethyl)phosphane

What is the InChI of the compound?

InChI=1S/C18H40P2/c1-15(2,3)19(16(4,5)6)13-14-20(17(7,8)9)18(10,11)12/h13-14H2,1-12H3

What is the InChIKey of the compound?

MWVXFEZPEPOQRE-UHFFFAOYSA-N

What is the canonical SMILES of the compound?

CC(C)(C)P(CCP(C(C)(C)C)C(C)(C)C)

What is the molecular weight of the compound?

318.5 g/mol

What is the XLogP3-AA value of the compound?

3.6

How many hydrogen bond donor counts does the compound have?

0

How many hydrogen bond acceptor counts does the compound have?

0

How many rotatable bond counts does the compound have?

7

What is the topological polar surface area of the compound?

0Ų

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