[1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane

C38H71P3 — CID 90110064

IUPAC[1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane
SMILESPC1(CCCC(P)(C2CCCCC2)C2CCCCC2)CCCCC1CCCC(P)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C38H71P3/c39-36(28-16-30-38(41,34-22-9-3-10-23-34)35-24-11-4-12-25-35)27-14-13-17-31(36)26-15-29-37(40,32-18-5-1-6-19-32)33-20-7-2-8-21-33/h31-35H,1-30,39-41H2
InChIKeyDZNKQOBPZWKAEW-UHFFFAOYSA-N
MW620.91 g/mol
LogP12.68
Rot. Bonds12

About [1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane

[1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane (PubChem CID 90110064) has the molecular formula C38H71P3 and a molecular weight of 620.91 g/mol. Its IUPAC name is [1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane.

Molecular Properties

Compound Name[1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane
PubChem CID90110064
Molecular FormulaC38H71P3
Molecular Weight620.91 g/mol
Exact Mass620.48
IUPAC Name[1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane
SMILESPC1(CCCC(P)(C2CCCCC2)C2CCCCC2)CCCCC1CCCC(P)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C38H71P3/c39-36(28-16-30-38(41,34-22-9-3-10-23-34)35-24-11-4-12-25-35)27-14-13-17-31(36)26-15-29-37(40,32-18-5-1-6-19-32)33-20-7-2-8-21-33/h31-35H,1-30,39-41H2
InChIKeyDZNKQOBPZWKAEW-UHFFFAOYSA-N
XLogP12.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.91
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(4,4-dicyclohexyl-4-phosphanylbutyl)phosphane
CID 90108272
[5-(2,2-dimethylcyclopentyl)-2-methylpentan-2-yl]phosphane
CID 170104157
2-heptyl-1,1-dimethylcycloundecane
CID 174977900
1,1-dicyclopentylpropylphosphane
CID 66992387
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
(3,3-dicyclohexyl-3-phosphanylpropyl)phosphonic acid ditetrafluoroborate
CID 175212468
4,4-dimethylpentylcycloundecane
CID 176613669
tricyclohexylmethylsilane
CID 71348621
1-tert-butyl-2-(4,4-dimethylpentyl)-1-methylcyclopentane
CID 59620662
[1-(2-cyclohexylethyl)cycloheptyl]methanamine
CID 114193187
2-(2,2-dimethylcycloheptyl)ethanethiol
CID 123225724

Frequently Asked Questions

What is the IUPAC name of [1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane?
The IUPAC name of [1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane (CID 90110064) is [1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane.
What is the SMILES notation for [1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane?
The canonical SMILES for [1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane is PC1(CCCC(P)(C2CCCCC2)C2CCCCC2)CCCCC1CCCC(P)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of [1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane?
The InChIKey is DZNKQOBPZWKAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H71P3/c39-36(28-16-30-38(41,34-22-9-3-10-23-34)35-24-11-4-12-25-35)27-14-13-17-31(36)26-15-29-37(40,32-18-5-1-6-19-32)33-20-7-2-8-21-33/h31-35H,1-30,39-41H2.
What are the key properties of [1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane?
[1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane has a molecular weight of 620.91 g/mol, XLogP of 12.68, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-bis(4,4-dicyclohexyl-4-phosphanylbutyl)cyclohexyl]phosphane is sourced from PubChem (CID 90110064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).