1-cyclobutyl-3-methylhexan-2-ol

C11H22O — CID 115802415

IUPAC1-cyclobutyl-3-methylhexan-2-ol
SMILESCCCC(C)C(O)CC1CCC1
InChIInChI=1S/C11H22O/c1-3-5-9(2)11(12)8-10-6-4-7-10/h9-12H,3-8H2,1-2H3
InChIKeyFPKXBNSVEMQKGV-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.97
Rot. Bonds5

About 1-cyclobutyl-3-methylhexan-2-ol

1-cyclobutyl-3-methylhexan-2-ol (PubChem CID 115802415) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-cyclobutyl-3-methylhexan-2-ol.

Molecular Properties

Compound Name1-cyclobutyl-3-methylhexan-2-ol
PubChem CID115802415
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-cyclobutyl-3-methylhexan-2-ol
SMILESCCCC(C)C(O)CC1CCC1
InChIInChI=1S/C11H22O/c1-3-5-9(2)11(12)8-10-6-4-7-10/h9-12H,3-8H2,1-2H3
InChIKeyFPKXBNSVEMQKGV-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-3-methylpentan-2-ol
CID 65459256
(2S,3R)-3-amino-1-cyclobutylbutan-2-ol
CID 124673545
2-propylpentylcyclobutane
CID 123848725
2-propan-2-ylpentylcyclobutane
CID 161147859
1-cyclobutylpentane-1,2-diol
CID 103454869
2-(cyclopropylmethyl)pentylcyclobutane
CID 57282892
1-cycloheptyl-N,3-dimethylhexan-2-amine
CID 107893929
(4R)-4-methylheptan-3-ol
CID 12799251
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
1-cyclohexyl-N-ethyl-3-methylhexan-2-amine
CID 115842188
2,3,6,8,11-pentamethyltetradecylcyclobutane
CID 123722303
2-prop-1-en-2-ylpentylcyclobutane
CID 123471153

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-methylhexan-2-ol?
The IUPAC name of 1-cyclobutyl-3-methylhexan-2-ol (CID 115802415) is 1-cyclobutyl-3-methylhexan-2-ol.
What is the SMILES notation for 1-cyclobutyl-3-methylhexan-2-ol?
The canonical SMILES for 1-cyclobutyl-3-methylhexan-2-ol is CCCC(C)C(O)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-methylhexan-2-ol?
The InChIKey is FPKXBNSVEMQKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-5-9(2)11(12)8-10-6-4-7-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-cyclobutyl-3-methylhexan-2-ol?
1-cyclobutyl-3-methylhexan-2-ol has a molecular weight of 170.30 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-methylhexan-2-ol is sourced from PubChem (CID 115802415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).