2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane

C17H33P — CID 145220822

IUPAC2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane
SMILESCCC1CCCCCC(C)P1C1CCCC(C)C1
InChIInChI=1S/C17H33P/c1-4-16-11-7-5-6-10-15(3)18(16)17-12-8-9-14(2)13-17/h14-17H,4-13H2,1-3H3
InChIKeyIIICBHQILMKCQA-UHFFFAOYSA-N
MW268.42 g/mol
LogP6.18
Rot. Bonds2

About 2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane

2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane (PubChem CID 145220822) has the molecular formula C17H33P and a molecular weight of 268.42 g/mol. Its IUPAC name is 2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane.

Molecular Properties

Compound Name2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane
PubChem CID145220822
Molecular FormulaC17H33P
Molecular Weight268.42 g/mol
Exact Mass268.23
IUPAC Name2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane
SMILESCCC1CCCCCC(C)P1C1CCCC(C)C1
InChIInChI=1S/C17H33P/c1-4-16-11-7-5-6-10-15(3)18(16)17-12-8-9-14(2)13-17/h14-17H,4-13H2,1-3H3
InChIKeyIIICBHQILMKCQA-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.42
LogP ≤ 56.18
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

1-cyclopentyl-2,5-diethylphospholane
CID 91984020
2-methyl-2-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
CID 115882663
trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537
(2S,5S)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]cyclopentyl]-2,5-diethylphospholane
CID 58900685
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
1,3,5-trimethylcyclododecane
CID 123355776
(1R)-1,3-dimethylcyclohexane
CID 12594306
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
cyclooctane;methylcyclobutane
CID 159456217
ethanamine;ethane;methylcyclohexane
CID 143506245
(2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane
CID 123179204
bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron
CID 155884997

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane?
The IUPAC name of 2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane (CID 145220822) is 2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane.
What is the SMILES notation for 2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane?
The canonical SMILES for 2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane is CCC1CCCCCC(C)P1C1CCCC(C)C1.
What is the InChIKey of 2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane?
The InChIKey is IIICBHQILMKCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33P/c1-4-16-11-7-5-6-10-15(3)18(16)17-12-8-9-14(2)13-17/h14-17H,4-13H2,1-3H3.
What are the key properties of 2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane?
2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane has a molecular weight of 268.42 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane is sourced from PubChem (CID 145220822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).