bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane

C20H35P — CID 66992372

IUPACbis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane
SMILESCCCCCCP(C1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C20H35P/c1-2-3-4-5-10-21(19-13-15-6-8-17(19)11-15)20-14-16-7-9-18(20)12-16/h15-20H,2-14H2,1H3
InChIKeyRHFILQPJTYPYSH-UHFFFAOYSA-N
MW306.47 g/mol
LogP6.43
Rot. Bonds7

About bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane

bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane (PubChem CID 66992372) has the molecular formula C20H35P and a molecular weight of 306.47 g/mol. Its IUPAC name is bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane.

Molecular Properties

Compound Namebis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane
PubChem CID66992372
Molecular FormulaC20H35P
Molecular Weight306.47 g/mol
Exact Mass306.25
IUPAC Namebis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane
SMILESCCCCCCP(C1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C20H35P/c1-2-3-4-5-10-21(19-13-15-6-8-17(19)11-15)20-14-16-7-9-18(20)12-16/h15-20H,2-14H2,1H3
InChIKeyRHFILQPJTYPYSH-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.47
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2-bicyclo[2.2.1]heptanyl)-octylphosphane
CID 66992605
bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane
CID 54423756
bicyclo[2.2.1]heptane;heptane
CID 161465006
di(cyclobutyl)-octylphosphane
CID 151646814
hexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane
CID 23135843
2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane
CID 66992611
2-hexoxybicyclo[2.2.1]heptane
CID 56615606
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane
CID 66992606
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 61309535

Frequently Asked Questions

What is the IUPAC name of bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane?
The IUPAC name of bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane (CID 66992372) is bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane.
What is the SMILES notation for bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane?
The canonical SMILES for bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane is CCCCCCP(C1CC2CCC1C2)C1CC2CCC1C2.
What is the InChIKey of bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane?
The InChIKey is RHFILQPJTYPYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35P/c1-2-3-4-5-10-21(19-13-15-6-8-17(19)11-15)20-14-16-7-9-18(20)12-16/h15-20H,2-14H2,1H3.
What are the key properties of bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane?
bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane has a molecular weight of 306.47 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane is sourced from PubChem (CID 66992372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).