(2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane

C17H27P — CID 87669134

IUPAC(2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane
SMILESPC1C=CC(C2CCCCC2)=C1C1CCCCC1
InChIInChI=1S/C17H27P/c18-16-12-11-15(13-7-3-1-4-8-13)17(16)14-9-5-2-6-10-14/h11-14,16H,1-10,18H2
InChIKeySLYTYOKLHDSHDQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP5.26
Rot. Bonds2

About (2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane

(2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane (PubChem CID 87669134) has the molecular formula C17H27P and a molecular weight of 262.38 g/mol. Its IUPAC name is (2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane.

Molecular Properties

Compound Name(2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane
PubChem CID87669134
Molecular FormulaC17H27P
Molecular Weight262.38 g/mol
Exact Mass262.19
IUPAC Name(2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane
SMILESPC1C=CC(C2CCCCC2)=C1C1CCCCC1
InChIInChI=1S/C17H27P/c18-16-12-11-15(13-7-3-1-4-8-13)17(16)14-9-5-2-6-10-14/h11-14,16H,1-10,18H2
InChIKeySLYTYOKLHDSHDQ-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.38
LogP ≤ 55.26
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

(2-cyclohexylcyclopenta-1,3-dien-1-yl)phosphane
CID 159739826
1,3-dicyclohexyl-3aH-indene
CID 16685895
(3aR,5aS,8aR,10aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-tetradecahydropyrene
CID 124909472
[cyclodecyl(cycloheptyl)phosphanyl]-cycloheptyl-(2-cyclohexylcyclopenta-1,3-dien-1-yl)-(2-cyclopentylcyclopenta-1,3-dien-1-yl)-cycloundecyl-λ5-phosphane
CID 91159914
1,3,5-tricyclopentylbenzene
CID 611596
2-cyclooctyl-1,3,5-triazine
CID 68552573
(5-cyclohexylpyrimidin-2-yl)methanamine
CID 83697989
4-cycloundecyl-2H-azadiphosphole
CID 91317252
4,6-dichloro-5-cyclohexyltriazine
CID 154164394
(2-cyclooctylpyrimidin-5-yl)methanamine
CID 80610612
5-(aminomethyl)-2-cyclohexylpyridin-3-amine
CID 105458264
5-cyclohexyl-2H-1,2,4-triazine-3-thione
CID 24847136

Frequently Asked Questions

What is the IUPAC name of (2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane?
The IUPAC name of (2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane (CID 87669134) is (2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane.
What is the SMILES notation for (2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane?
The canonical SMILES for (2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane is PC1C=CC(C2CCCCC2)=C1C1CCCCC1.
What is the InChIKey of (2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane?
The InChIKey is SLYTYOKLHDSHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27P/c18-16-12-11-15(13-7-3-1-4-8-13)17(16)14-9-5-2-6-10-14/h11-14,16H,1-10,18H2.
What are the key properties of (2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane?
(2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane has a molecular weight of 262.38 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dicyclohexylcyclopenta-2,4-dien-1-yl)phosphane is sourced from PubChem (CID 87669134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).