2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl-[2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(methyl)phosphanyl]-methylphosphane

C20H36P2 — CID 58861202

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl-[2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(methyl)phosphanyl]-methylphosphane
SMILESCP(C1CC2CCCCC2C1)P(C)C1CC2CCCCC2C1
InChIInChI=1S/C20H36P2/c1-21(19-11-15-7-3-4-8-16(15)12-19)22(2)20-13-17-9-5-6-10-18(17)14-20/h15-20H,3-14H2,1-2H3
InChIKeyCZAKKWTUPWIBDN-UHFFFAOYSA-N
MW338.46 g/mol
LogP7.06
Rot. Bonds3

About 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl-[2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(methyl)phosphanyl]-methylphosphane

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl-[2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(methyl)phosphanyl]-methylphosphane (PubChem CID 58861202) has the molecular formula C20H36P2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl-[2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(methyl)phosphanyl]-methylphosphane.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl-[2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(methyl)phosphanyl]-methylphosphane
PubChem CID58861202
Molecular FormulaC20H36P2
Molecular Weight338.46 g/mol
Exact Mass338.23
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl-[2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(methyl)phosphanyl]-methylphosphane
SMILESCP(C1CC2CCCCC2C1)P(C)C1CC2CCCCC2C1
InChIInChI=1S/C20H36P2/c1-21(19-11-15-7-3-4-8-16(15)12-19)22(2)20-13-17-9-5-6-10-18(17)14-20/h15-20H,3-14H2,1-2H3
InChIKeyCZAKKWTUPWIBDN-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.46
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl-[2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(methyl)phosphanyl]-methylphosphane?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl-[2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(methyl)phosphanyl]-methylphosphane (CID 58861202) is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl-[2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(methyl)phosphanyl]-methylphosphane.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl-[2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(methyl)phosphanyl]-methylphosphane?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl-[2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(methyl)phosphanyl]-methylphosphane is CP(C1CC2CCCCC2C1)P(C)C1CC2CCCCC2C1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl-[2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(methyl)phosphanyl]-methylphosphane?
The InChIKey is CZAKKWTUPWIBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36P2/c1-21(19-11-15-7-3-4-8-16(15)12-19)22(2)20-13-17-9-5-6-10-18(17)14-20/h15-20H,3-14H2,1-2H3.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl-[2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(methyl)phosphanyl]-methylphosphane?
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl-[2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(methyl)phosphanyl]-methylphosphane has a molecular weight of 338.46 g/mol, XLogP of 7.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl-[2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(methyl)phosphanyl]-methylphosphane is sourced from PubChem (CID 58861202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).