dicyclopentylphosphorylcyclohexane

C16H29OP — CID 177406372

IUPACdicyclopentylphosphorylcyclohexane
SMILESO=P(C1CCCCC1)(C1CCCC1)C1CCCC1
InChIInChI=1S/C16H29OP/c17-18(15-10-4-5-11-15,16-12-6-7-13-16)14-8-2-1-3-9-14/h14-16H,1-13H2
InChIKeyFKOIKTSZKALQCS-UHFFFAOYSA-N
MW268.38 g/mol
LogP5.57
Rot. Bonds3

About dicyclopentylphosphorylcyclohexane

dicyclopentylphosphorylcyclohexane (PubChem CID 177406372) has the molecular formula C16H29OP and a molecular weight of 268.38 g/mol. Its IUPAC name is dicyclopentylphosphorylcyclohexane.

Molecular Properties

Compound Namedicyclopentylphosphorylcyclohexane
PubChem CID177406372
Molecular FormulaC16H29OP
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Namedicyclopentylphosphorylcyclohexane
SMILESO=P(C1CCCCC1)(C1CCCC1)C1CCCC1
InChIInChI=1S/C16H29OP/c17-18(15-10-4-5-11-15,16-12-6-7-13-16)14-8-2-1-3-9-14/h14-16H,1-13H2
InChIKeyFKOIKTSZKALQCS-UHFFFAOYSA-N
XLogP5.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.38
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dicyclopentylphosphorylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(15S,16S)-15,16-bis(dicyclohexylphosphoryl)tetracyclo[6.6.2.02,7.09,14]hexadecane
CID 135083391
di(cyclooctyl)phosphinic acid
CID 15243623
1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane
CID 140593241
cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid
CID 87473548
bis(3,3-dimethylbut-1-ynyl)phosphorylcyclohexane
CID 71444340
1-[cyclohexen-1-yl(cyclohexyl)phosphoryl]cycloheptene
CID 123358674
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373
cyclohexyl(phosphonooxy)phosphinic acid;methane
CID 88826552
[ethyl(methoxy)phosphoryl]cyclohexane
CID 66729718
[cyclohexyl(methoxy)phosphoryl] hypofluorite
CID 175039350
dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane
CID 14249029
2,6-bis(dicyclohexylphosphorylmethyl)piperidin-1-ium
CID 163182594

Frequently Asked Questions

What is the IUPAC name of dicyclopentylphosphorylcyclohexane?
The IUPAC name of dicyclopentylphosphorylcyclohexane (CID 177406372) is dicyclopentylphosphorylcyclohexane.
What is the SMILES notation for dicyclopentylphosphorylcyclohexane?
The canonical SMILES for dicyclopentylphosphorylcyclohexane is O=P(C1CCCCC1)(C1CCCC1)C1CCCC1.
What is the InChIKey of dicyclopentylphosphorylcyclohexane?
The InChIKey is FKOIKTSZKALQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29OP/c17-18(15-10-4-5-11-15,16-12-6-7-13-16)14-8-2-1-3-9-14/h14-16H,1-13H2.
What are the key properties of dicyclopentylphosphorylcyclohexane?
dicyclopentylphosphorylcyclohexane has a molecular weight of 268.38 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopentylphosphorylcyclohexane is sourced from PubChem (CID 177406372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).