1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol

C16H31O2P — CID 178180851

IUPAC1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol
SMILESCCCCCCC1CCP(=O)(C2(O)CCCCC2)C1
InChIInChI=1S/C16H31O2P/c1-2-3-4-6-9-15-10-13-19(18,14-15)16(17)11-7-5-8-12-16/h15,17H,2-14H2,1H3
InChIKeyUYIMRGVMEOAFGG-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.99
Rot. Bonds6

About 1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol

1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol (PubChem CID 178180851) has the molecular formula C16H31O2P and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol
PubChem CID178180851
Molecular FormulaC16H31O2P
Molecular Weight286.40 g/mol
Exact Mass286.21
IUPAC Name1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol
SMILESCCCCCCC1CCP(=O)(C2(O)CCCCC2)C1
InChIInChI=1S/C16H31O2P/c1-2-3-4-6-9-15-10-13-19(18,14-15)16(17)11-7-5-8-12-16/h15,17H,2-14H2,1H3
InChIKeyUYIMRGVMEOAFGG-UHFFFAOYSA-N
XLogP4.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol 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

tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
heptylcyclohexane;propan-2-one
CID 143570854
1-(4-hexylcyclohexyl)cyclohexane-1-carboxylic acid
CID 67791495
azane;heptylcyclohexane
CID 121434222
octadecane;pentadecylcyclopropane
CID 173301851
1,4-dihexylcyclohexane
CID 22947938
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1-octadecylcyclohexan-1-ol
CID 67204292

Frequently Asked Questions

What is the IUPAC name of 1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol?
The IUPAC name of 1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol (CID 178180851) is 1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol is CCCCCCC1CCP(=O)(C2(O)CCCCC2)C1.
What is the InChIKey of 1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol?
The InChIKey is UYIMRGVMEOAFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31O2P/c1-2-3-4-6-9-15-10-13-19(18,14-15)16(17)11-7-5-8-12-16/h15,17H,2-14H2,1H3.
What are the key properties of 1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol?
1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol has a molecular weight of 286.40 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hexyl-1-oxo-1λ5-phospholan-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 178180851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).