3-cyclohexylnonan-3-ylphosphane

C15H31P — CID 174798619

IUPAC3-cyclohexylnonan-3-ylphosphane
SMILESCCCCCCC(P)(CC)C1CCCCC1
InChIInChI=1S/C15H31P/c1-3-5-6-10-13-15(16,4-2)14-11-8-7-9-12-14/h14H,3-13,16H2,1-2H3
InChIKeyVFYHOXFKWGBGTA-UHFFFAOYSA-N
MW242.39 g/mol
LogP5.56
Rot. Bonds7

About 3-cyclohexylnonan-3-ylphosphane

3-cyclohexylnonan-3-ylphosphane (PubChem CID 174798619) has the molecular formula C15H31P and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-cyclohexylnonan-3-ylphosphane.

Molecular Properties

Compound Name3-cyclohexylnonan-3-ylphosphane
PubChem CID174798619
Molecular FormulaC15H31P
Molecular Weight242.39 g/mol
Exact Mass242.22
IUPAC Name3-cyclohexylnonan-3-ylphosphane
SMILESCCCCCCC(P)(CC)C1CCCCC1
InChIInChI=1S/C15H31P/c1-3-5-6-10-13-15(16,4-2)14-11-8-7-9-12-14/h14H,3-13,16H2,1-2H3
InChIKeyVFYHOXFKWGBGTA-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.39
LogP ≤ 55.56
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

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2,2-dicyclohexyldecanal
CID 88668774
6,15-dicyclohexylpentadecan-6-ylcyclohexane
CID 143323723
(1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane
CID 70467825
1,1,2-tricyclohexyldodecylphosphane
CID 67839264
[1-bromo-2-(bromomethyl)heptan-2-yl]cyclopentane
CID 112571210
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
2-cyclopentyl-2-methyldecanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylnonan-3-ylphosphane?
The IUPAC name of 3-cyclohexylnonan-3-ylphosphane (CID 174798619) is 3-cyclohexylnonan-3-ylphosphane.
What is the SMILES notation for 3-cyclohexylnonan-3-ylphosphane?
The canonical SMILES for 3-cyclohexylnonan-3-ylphosphane is CCCCCCC(P)(CC)C1CCCCC1.
What is the InChIKey of 3-cyclohexylnonan-3-ylphosphane?
The InChIKey is VFYHOXFKWGBGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31P/c1-3-5-6-10-13-15(16,4-2)14-11-8-7-9-12-14/h14H,3-13,16H2,1-2H3.
What are the key properties of 3-cyclohexylnonan-3-ylphosphane?
3-cyclohexylnonan-3-ylphosphane has a molecular weight of 242.39 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylnonan-3-ylphosphane is sourced from PubChem (CID 174798619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).