1-methoxy-2-pentylcyclohexan-1-ol

C12H24O2 — CID 141408189

IUPAC1-methoxy-2-pentylcyclohexan-1-ol
SMILESCCCCCC1CCCCC1(O)OC
InChIInChI=1S/C12H24O2/c1-3-4-5-8-11-9-6-7-10-12(11,13)14-2/h11,13H,3-10H2,1-2H3
InChIKeyLXHRRAUHRDDRMZ-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.09
Rot. Bonds5

About 1-methoxy-2-pentylcyclohexan-1-ol

1-methoxy-2-pentylcyclohexan-1-ol (PubChem CID 141408189) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-methoxy-2-pentylcyclohexan-1-ol.

Molecular Properties

Compound Name1-methoxy-2-pentylcyclohexan-1-ol
PubChem CID141408189
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-methoxy-2-pentylcyclohexan-1-ol
SMILESCCCCCC1CCCCC1(O)OC
InChIInChI=1S/C12H24O2/c1-3-4-5-8-11-9-6-7-10-12(11,13)14-2/h11,13H,3-10H2,1-2H3
InChIKeyLXHRRAUHRDDRMZ-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Methylcyclohexanone dimethyl acetal
CID 10374699
Dihydroxycyclohexylpropane
CID 67461264
2-Ethylcyclohexanone dimethyl acetal
CID 100962144
2,6-Dimethylcyclohexanone dimethyl acetal
CID 129777340
1-Methoxyspiro[2.5]octan-1-ol
CID 13086992
2-Methoxy-1-methylspiro[2.5]octan-2-ol
CID 13086994
1-(7,7-Dimethoxyoctyl)cyclohexan-1-ol
CID 14903620
2-Isopropylcyclo-hexanone dimethyl acetal
CID 100962145
Cyclohexane, 1,1-dimethoxy-2-pentyl-
CID 568055
Cyclohexyl(dimethoxy)methanol
CID 12640479
4-Ethyldecane-3,3-diol
CID 17959005
1-Cyclohexylethane-1,1-diol
CID 18458481

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-pentylcyclohexan-1-ol?
The IUPAC name of 1-methoxy-2-pentylcyclohexan-1-ol (CID 141408189) is 1-methoxy-2-pentylcyclohexan-1-ol.
What is the SMILES notation for 1-methoxy-2-pentylcyclohexan-1-ol?
The canonical SMILES for 1-methoxy-2-pentylcyclohexan-1-ol is CCCCCC1CCCCC1(O)OC.
What is the InChIKey of 1-methoxy-2-pentylcyclohexan-1-ol?
The InChIKey is LXHRRAUHRDDRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-4-5-8-11-9-6-7-10-12(11,13)14-2/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-methoxy-2-pentylcyclohexan-1-ol?
1-methoxy-2-pentylcyclohexan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-pentylcyclohexan-1-ol is sourced from PubChem (CID 141408189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).