1-[(1-propylcyclohexyl)methoxy]pentan-2-ol

C15H30O2 — CID 57217984

IUPAC1-[(1-propylcyclohexyl)methoxy]pentan-2-ol
SMILESCCCC(O)COCC1(CCC)CCCCC1
InChIInChI=1S/C15H30O2/c1-3-8-14(16)12-17-13-15(9-4-2)10-6-5-7-11-15/h14,16H,3-13H2,1-2H3
InChIKeyIMSGNYAPECOQMR-UHFFFAOYSA-N
MW242.40 g/mol
LogP3.91
Rot. Bonds8

About 1-[(1-propylcyclohexyl)methoxy]pentan-2-ol

1-[(1-propylcyclohexyl)methoxy]pentan-2-ol (PubChem CID 57217984) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1-[(1-propylcyclohexyl)methoxy]pentan-2-ol.

Molecular Properties

Compound Name1-[(1-propylcyclohexyl)methoxy]pentan-2-ol
PubChem CID57217984
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name1-[(1-propylcyclohexyl)methoxy]pentan-2-ol
SMILESCCCC(O)COCC1(CCC)CCCCC1
InChIInChI=1S/C15H30O2/c1-3-8-14(16)12-17-13-15(9-4-2)10-6-5-7-11-15/h14,16H,3-13H2,1-2H3
InChIKeyIMSGNYAPECOQMR-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-Butylcyclohexyloxybutanol
CID 164422
2-Cyclohexyl-2-methoxyethan-1-ol
CID 105431045
3-Oxaspiro[5.5]undecan-9-ol
CID 165990537
1-[1-(1-Hydroxyethyl)cyclohexyl]ethanol
CID 19424468
1-[(2,2,6-Trimethylcyclohexyl)oxy]pentan-2-OL
CID 3021165
3-Ethoxyspiro[3.5]nonan-1-ol
CID 54595222
(1-Ethoxy-4,4-dimethylcyclohexyl)methanol
CID 130591113
(1-Methoxy-4,4-dimethylcyclohexyl)methanol
CID 130591114
(2-Oxaspiro(4.5)decan-3-yl)methanol
CID 131409541
(6-Oxaspiro(3.5)nonan-7-yl)methanol
CID 146155327
2,2,6-Trimethyl-6-(2-hydroxy-1-methoxyethyl)tetrahydropyran
CID 15409472
2-Methyl-2-[1-(2-methylcyclohexyl)ethoxy]propan-1-ol
CID 11615447

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propylcyclohexyl)methoxy]pentan-2-ol?
The IUPAC name of 1-[(1-propylcyclohexyl)methoxy]pentan-2-ol (CID 57217984) is 1-[(1-propylcyclohexyl)methoxy]pentan-2-ol.
What is the SMILES notation for 1-[(1-propylcyclohexyl)methoxy]pentan-2-ol?
The canonical SMILES for 1-[(1-propylcyclohexyl)methoxy]pentan-2-ol is CCCC(O)COCC1(CCC)CCCCC1.
What is the InChIKey of 1-[(1-propylcyclohexyl)methoxy]pentan-2-ol?
The InChIKey is IMSGNYAPECOQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-3-8-14(16)12-17-13-15(9-4-2)10-6-5-7-11-15/h14,16H,3-13H2,1-2H3.
What are the key properties of 1-[(1-propylcyclohexyl)methoxy]pentan-2-ol?
1-[(1-propylcyclohexyl)methoxy]pentan-2-ol has a molecular weight of 242.40 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propylcyclohexyl)methoxy]pentan-2-ol is sourced from PubChem (CID 57217984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).