dicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane

C18H29P — CID 176536164

IUPACdicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane
SMILESCC1C=CC=C1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H29P/c1-15-9-8-14-18(15)19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h8-9,14-17H,2-7,10-13H2,1H3
InChIKeyGHKOESICKMTNDO-UHFFFAOYSA-N
MW276.40 g/mol
LogP6.22
Rot. Bonds3

About dicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane

dicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane (PubChem CID 176536164) has the molecular formula C18H29P and a molecular weight of 276.40 g/mol. Its IUPAC name is dicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane.

Molecular Properties

Compound Namedicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane
PubChem CID176536164
Molecular FormulaC18H29P
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Namedicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane
SMILESCC1C=CC=C1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H29P/c1-15-9-8-14-18(15)19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h8-9,14-17H,2-7,10-13H2,1H3
InChIKeyGHKOESICKMTNDO-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.40
LogP ≤ 56.22
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

di(cyclooctyl)-[2-di(cyclooctyl)phosphanylcyclopenta-2,4-dien-1-yl]phosphane
CID 90109862
ditert-butyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 71310500
(1S)-1-(2-dicyclohexylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 162411834
dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane
CID 15302428
dicyclohexyl-[1-(5-dicyclohexylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 70820745
bis(dicyclohexyl(phenyl)phosphane);dihydrobromide
CID 173326608
dichloropalladium;bis(4-dicyclohexylphosphanyl-N,N-dimethylaniline)
CID 71317458
1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcycloicosane
CID 123296856
acetic acid;dicyclohexyl(phenyl)phosphane
CID 172794555
dicyclohexyl-(2,4-dimethylphenyl)phosphane
CID 118892714
CID 176507812
CID 176507812

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane?
The IUPAC name of dicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane (CID 176536164) is dicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane.
What is the SMILES notation for dicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane?
The canonical SMILES for dicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane is CC1C=CC=C1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane?
The InChIKey is GHKOESICKMTNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29P/c1-15-9-8-14-18(15)19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h8-9,14-17H,2-7,10-13H2,1H3.
What are the key properties of dicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane?
dicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane has a molecular weight of 276.40 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(5-methylcyclopenta-1,3-dien-1-yl)phosphane is sourced from PubChem (CID 176536164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).