3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol

C12H24O2 — CID 79566852

IUPAC3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol
SMILESCCCOCC1(O)CC(C)CC(C)C1
InChIInChI=1S/C12H24O2/c1-4-5-14-9-12(13)7-10(2)6-11(3)8-12/h10-11,13H,4-9H2,1-3H3
InChIKeyNPLFVSDPHAGGNG-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.60
Rot. Bonds4

About 3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol

3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol (PubChem CID 79566852) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol
PubChem CID79566852
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol
SMILESCCCOCC1(O)CC(C)CC(C)C1
InChIInChI=1S/C12H24O2/c1-4-5-14-9-12(13)7-10(2)6-11(3)8-12/h10-11,13H,4-9H2,1-3H3
InChIKeyNPLFVSDPHAGGNG-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol (CID 79566852) is 3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol is CCCOCC1(O)CC(C)CC(C)C1.
What is the InChIKey of 3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol?
The InChIKey is NPLFVSDPHAGGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-5-14-9-12(13)7-10(2)6-11(3)8-12/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol?
3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(propoxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 79566852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).