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

C12H24O2 — CID 79567262

IUPAC3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol
SMILESCCCOCC1(O)CCCC(C)(C)C1
InChIInChI=1S/C12H24O2/c1-4-8-14-10-12(13)7-5-6-11(2,3)9-12/h13H,4-10H2,1-3H3
InChIKeyGLWLRAGBVNALHP-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds4

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

3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol (PubChem CID 79567262) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol
PubChem CID79567262
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol
SMILESCCCOCC1(O)CCCC(C)(C)C1
InChIInChI=1S/C12H24O2/c1-4-8-14-10-12(13)7-5-6-11(2,3)9-12/h13H,4-10H2,1-3H3
InChIKeyGLWLRAGBVNALHP-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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 3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol (CID 79567262) is 3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol is CCCOCC1(O)CCCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol?
The InChIKey is GLWLRAGBVNALHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-8-14-10-12(13)7-5-6-11(2,3)9-12/h13H,4-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol?
3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 79567262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).