phosphane;1,1,2-trihexyl-6-octylcyclohexane

C32H67P — CID 118159998

IUPACphosphane;1,1,2-trihexyl-6-octylcyclohexane
SMILESCCCCCCCCC1CCCC(CCCCCC)C1(CCCCCC)CCCCCC.P
InChIInChI=1S/C32H64.H3P/c1-5-9-13-17-18-20-25-31-27-23-26-30(24-19-14-10-6-2)32(31,28-21-15-11-7-3)29-22-16-12-8-4;/h30-31H,5-29H2,1-4H3;1H3
InChIKeyYMRCBZJWUKDXFJ-UHFFFAOYSA-N
MW482.86 g/mol
LogP12.11
Rot. Bonds22

About phosphane;1,1,2-trihexyl-6-octylcyclohexane

phosphane;1,1,2-trihexyl-6-octylcyclohexane (PubChem CID 118159998) has the molecular formula C32H67P and a molecular weight of 482.86 g/mol. Its IUPAC name is phosphane;1,1,2-trihexyl-6-octylcyclohexane.

Molecular Properties

Compound Namephosphane;1,1,2-trihexyl-6-octylcyclohexane
PubChem CID118159998
Molecular FormulaC32H67P
Molecular Weight482.86 g/mol
Exact Mass482.50
IUPAC Namephosphane;1,1,2-trihexyl-6-octylcyclohexane
SMILESCCCCCCCCC1CCCC(CCCCCC)C1(CCCCCC)CCCCCC.P
InChIInChI=1S/C32H64.H3P/c1-5-9-13-17-18-20-25-31-27-23-26-30(24-19-14-10-6-2)32(31,28-21-15-11-7-3)29-22-16-12-8-4;/h30-31H,5-29H2,1-4H3;1H3
InChIKeyYMRCBZJWUKDXFJ-UHFFFAOYSA-N
XLogP12.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.86
LogP ≤ 512.11
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-octylspiro[4.5]decane
CID 139968258
2-heptyl-1,1-dimethylcycloundecane
CID 174977900
1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane
CID 140997941
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
1,2-dihexylcyclohexane-1-carboxylic acid
CID 18962215
cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol
CID 14921306
1-ethyl-1-hexyl-2,3-dimethylcyclopropane
CID 123758014
1,1-dimethyl-2-octylcyclopropane
CID 15329257
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
2-(2-bromo-2-hexadecylcyclohexyl)ethanol
CID 122610718

Frequently Asked Questions

What is the IUPAC name of phosphane;1,1,2-trihexyl-6-octylcyclohexane?
The IUPAC name of phosphane;1,1,2-trihexyl-6-octylcyclohexane (CID 118159998) is phosphane;1,1,2-trihexyl-6-octylcyclohexane.
What is the SMILES notation for phosphane;1,1,2-trihexyl-6-octylcyclohexane?
The canonical SMILES for phosphane;1,1,2-trihexyl-6-octylcyclohexane is CCCCCCCCC1CCCC(CCCCCC)C1(CCCCCC)CCCCCC.P.
What is the InChIKey of phosphane;1,1,2-trihexyl-6-octylcyclohexane?
The InChIKey is YMRCBZJWUKDXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64.H3P/c1-5-9-13-17-18-20-25-31-27-23-26-30(24-19-14-10-6-2)32(31,28-21-15-11-7-3)29-22-16-12-8-4;/h30-31H,5-29H2,1-4H3;1H3.
What are the key properties of phosphane;1,1,2-trihexyl-6-octylcyclohexane?
phosphane;1,1,2-trihexyl-6-octylcyclohexane has a molecular weight of 482.86 g/mol, XLogP of 12.11, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;1,1,2-trihexyl-6-octylcyclohexane is sourced from PubChem (CID 118159998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).