1-cyclopentyl-3-methoxy-3-methylpentan-2-ol

C12H24O2 — CID 116751802

IUPAC1-cyclopentyl-3-methoxy-3-methylpentan-2-ol
SMILESCCC(C)(OC)C(O)CC1CCCC1
InChIInChI=1S/C12H24O2/c1-4-12(2,14-3)11(13)9-10-7-5-6-8-10/h10-11,13H,4-9H2,1-3H3
InChIKeyIEWAYHBNZKUXHR-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds5

About 1-cyclopentyl-3-methoxy-3-methylpentan-2-ol

1-cyclopentyl-3-methoxy-3-methylpentan-2-ol (PubChem CID 116751802) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-methoxy-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-methoxy-3-methylpentan-2-ol
PubChem CID116751802
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-cyclopentyl-3-methoxy-3-methylpentan-2-ol
SMILESCCC(C)(OC)C(O)CC1CCCC1
InChIInChI=1S/C12H24O2/c1-4-12(2,14-3)11(13)9-10-7-5-6-8-10/h10-11,13H,4-9H2,1-3H3
InChIKeyIEWAYHBNZKUXHR-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol
CID 116751875
1-cyclohexyl-3-methoxy-3-methylpentan-2-amine
CID 116757435
1-cyclohexyl-3-methylpentane-2,3-diol
CID 103448798
1-cyclobutyl-3,3-dimethylpentan-2-ol
CID 115802513
1-cyclohexyl-3-ethylpentane-2,3-diol
CID 103449466
1-cyclohexyl-3,3-difluorobutan-2-ol
CID 131122835
6-ethyl-3-methoxy-3-methyloctan-4-ol
CID 116752010
1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712985
1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79065510
(1-cyclobutyl-2-methoxy-2-methylbutyl)hydrazine
CID 105274552
3-methoxy-3-methylnonan-4-ol
CID 116751924
1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197910

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methoxy-3-methylpentan-2-ol?
The IUPAC name of 1-cyclopentyl-3-methoxy-3-methylpentan-2-ol (CID 116751802) is 1-cyclopentyl-3-methoxy-3-methylpentan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-methoxy-3-methylpentan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-methoxy-3-methylpentan-2-ol is CCC(C)(OC)C(O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-methoxy-3-methylpentan-2-ol?
The InChIKey is IEWAYHBNZKUXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-12(2,14-3)11(13)9-10-7-5-6-8-10/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-cyclopentyl-3-methoxy-3-methylpentan-2-ol?
1-cyclopentyl-3-methoxy-3-methylpentan-2-ol has a molecular weight of 200.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methoxy-3-methylpentan-2-ol is sourced from PubChem (CID 116751802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).