1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane

C22H39P — CID 66992606

IUPAC1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane
SMILESCCCCCCCC(P)(C1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C22H39P/c1-2-3-4-5-6-11-22(23,20-14-16-7-9-18(20)12-16)21-15-17-8-10-19(21)13-17/h16-21H,2-15,23H2,1H3
InChIKeyMVCASHWUZPRNOO-UHFFFAOYSA-N
MW334.53 g/mol
LogP6.83
Rot. Bonds8

About 1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane

1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane (PubChem CID 66992606) has the molecular formula C22H39P and a molecular weight of 334.53 g/mol. Its IUPAC name is 1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane.

Molecular Properties

Compound Name1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane
PubChem CID66992606
Molecular FormulaC22H39P
Molecular Weight334.53 g/mol
Exact Mass334.28
IUPAC Name1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane
SMILESCCCCCCCC(P)(C1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C22H39P/c1-2-3-4-5-6-11-22(23,20-14-16-7-9-18(20)12-16)21-15-17-8-10-19(21)13-17/h16-21H,2-15,23H2,1H3
InChIKeyMVCASHWUZPRNOO-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.53
LogP ≤ 56.83
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

1,1-bis(2-adamantyl)hexylphosphane
CID 68580226
bicyclo[2.2.1]heptane;heptane
CID 161465006
decyl 2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate
CID 87984539
(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
bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane
CID 66992372
bis(2-bicyclo[2.2.1]heptanyl)-octylphosphane
CID 66992605
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane
CID 118360310

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane?
The IUPAC name of 1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane (CID 66992606) is 1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane.
What is the SMILES notation for 1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane?
The canonical SMILES for 1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane is CCCCCCCC(P)(C1CC2CCC1C2)C1CC2CCC1C2.
What is the InChIKey of 1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane?
The InChIKey is MVCASHWUZPRNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39P/c1-2-3-4-5-6-11-22(23,20-14-16-7-9-18(20)12-16)21-15-17-8-10-19(21)13-17/h16-21H,2-15,23H2,1H3.
What are the key properties of 1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane?
1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane has a molecular weight of 334.53 g/mol, XLogP of 6.83, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-bicyclo[2.2.1]heptanyl)octylphosphane is sourced from PubChem (CID 66992606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).