3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol

C14H28O2 — CID 107429669

IUPAC3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol
SMILESCC(C)CC1CCCC(O)(COC(C)C)C1
InChIInChI=1S/C14H28O2/c1-11(2)8-13-6-5-7-14(15,9-13)10-16-12(3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyRQVYBXICHOLGEN-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.38
Rot. Bonds5

About 3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol

3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol (PubChem CID 107429669) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol
PubChem CID107429669
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol
SMILESCC(C)CC1CCCC(O)(COC(C)C)C1
InChIInChI=1S/C14H28O2/c1-11(2)8-13-6-5-7-14(15,9-13)10-16-12(3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyRQVYBXICHOLGEN-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429492
3-methyl-1-(propan-2-yloxymethyl)cyclopentan-1-ol
CID 79568095
4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 59401509
1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429751
1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429768
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-methyl-3-(2-methylpropyl)cycloheptan-1-ol
CID 18356800
1-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429783
1-(propan-2-yloxymethyl)-4-propylcyclohexan-1-ol
CID 79568462
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429583
1-(4-methoxybutan-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429641
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429553

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
The IUPAC name of 3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol (CID 107429669) is 3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol is CC(C)CC1CCCC(O)(COC(C)C)C1.
What is the InChIKey of 3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
The InChIKey is RQVYBXICHOLGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(2)8-13-6-5-7-14(15,9-13)10-16-12(3)4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 107429669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).