2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol

C18H34O2 — CID 146251429

IUPAC2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CC(C)CC(OCC(C)C2CCC(C)CC2O)C1
InChIInChI=1S/C18H34O2/c1-12-5-6-17(18(19)10-12)15(4)11-20-16-8-13(2)7-14(3)9-16/h12-19H,5-11H2,1-4H3
InChIKeyUWJJUTWVBZWHMZ-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.26
Rot. Bonds4

About 2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol

2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 146251429) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID146251429
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CC(C)CC(OCC(C)C2CCC(C)CC2O)C1
InChIInChI=1S/C18H34O2/c1-12-5-6-17(18(19)10-12)15(4)11-20-16-8-13(2)7-14(3)9-16/h12-19H,5-11H2,1-4H3
InChIKeyUWJJUTWVBZWHMZ-UHFFFAOYSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
(1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol
CID 57387115
dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 122703177
1-(3,5-dimethylcyclohexyl)oxy-3,3-dimethylbutan-2-ol
CID 64730410
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
4-methyl-2-(2-methylpropyl)cyclopentan-1-ol
CID 67495132
ethyl 3-(3,5-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propanoate
CID 64729857
cis-(1R,5S)-5-methyl-3-[(2R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propan-2-ylcyclohexan-1-ol
CID 126621242
trans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol
CID 146570259
2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol
CID 64766518
1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine
CID 107506880

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of 2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol (CID 146251429) is 2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol is CC1CC(C)CC(OCC(C)C2CCC(C)CC2O)C1.
What is the InChIKey of 2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is UWJJUTWVBZWHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-12-5-6-17(18(19)10-12)15(4)11-20-16-8-13(2)7-14(3)9-16/h12-19H,5-11H2,1-4H3.
What are the key properties of 2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol?
2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 146251429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).