(1-methylcyclohexyl)-octylphosphane

C15H31P — CID 174915939

IUPAC(1-methylcyclohexyl)-octylphosphane
SMILESCCCCCCCCPC1(C)CCCCC1
InChIInChI=1S/C15H31P/c1-3-4-5-6-7-11-14-16-15(2)12-9-8-10-13-15/h16H,3-14H2,1-2H3
InChIKeyLQDOSPGUTZJODY-UHFFFAOYSA-N
MW242.39 g/mol
LogP5.75
Rot. Bonds8

About (1-methylcyclohexyl)-octylphosphane

(1-methylcyclohexyl)-octylphosphane (PubChem CID 174915939) has the molecular formula C15H31P and a molecular weight of 242.39 g/mol. Its IUPAC name is (1-methylcyclohexyl)-octylphosphane.

Molecular Properties

Compound Name(1-methylcyclohexyl)-octylphosphane
PubChem CID174915939
Molecular FormulaC15H31P
Molecular Weight242.39 g/mol
Exact Mass242.22
IUPAC Name(1-methylcyclohexyl)-octylphosphane
SMILESCCCCCCCCPC1(C)CCCCC1
InChIInChI=1S/C15H31P/c1-3-4-5-6-7-11-14-16-15(2)12-9-8-10-13-15/h16H,3-14H2,1-2H3
InChIKeyLQDOSPGUTZJODY-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.39
LogP ≤ 55.75
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

(4-methyloxan-4-yl)-pentylphosphane
CID 174333348
cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728
1-methyl-1-undecylcyclohexane
CID 86137257
butane;cyclooctane;molecular iodine;nonane
CID 162136863
1-heptylcycloheptan-1-amine
CID 63407607
1-decyl-1,2,2-trimethylcyclooctane
CID 150686045
N-decyl-1-methylcyclohexan-1-amine
CID 63491392
1-chloro-1-hexylcyclohexane
CID 57072771
(2-methyloxan-2-yl)-tetradecylsilane
CID 175425313
cyclobutane;ethane;hexane
CID 143857678
alumane;cyclohexane;hexane
CID 175455201

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl)-octylphosphane?
The IUPAC name of (1-methylcyclohexyl)-octylphosphane (CID 174915939) is (1-methylcyclohexyl)-octylphosphane.
What is the SMILES notation for (1-methylcyclohexyl)-octylphosphane?
The canonical SMILES for (1-methylcyclohexyl)-octylphosphane is CCCCCCCCPC1(C)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl)-octylphosphane?
The InChIKey is LQDOSPGUTZJODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31P/c1-3-4-5-6-7-11-14-16-15(2)12-9-8-10-13-15/h16H,3-14H2,1-2H3.
What are the key properties of (1-methylcyclohexyl)-octylphosphane?
(1-methylcyclohexyl)-octylphosphane has a molecular weight of 242.39 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)-octylphosphane is sourced from PubChem (CID 174915939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).