5-cyclopentyl-2,2-dimethylhexan-3-ol

C13H26O — CID 57260402

IUPAC5-cyclopentyl-2,2-dimethylhexan-3-ol
SMILESCC(CC(O)C(C)(C)C)C1CCCC1
InChIInChI=1S/C13H26O/c1-10(11-7-5-6-8-11)9-12(14)13(2,3)4/h10-12,14H,5-9H2,1-4H3
InChIKeyRUXUCJKUXNSPPA-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.61
Rot. Bonds3

About 5-cyclopentyl-2,2-dimethylhexan-3-ol

5-cyclopentyl-2,2-dimethylhexan-3-ol (PubChem CID 57260402) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 5-cyclopentyl-2,2-dimethylhexan-3-ol.

Molecular Properties

Compound Name5-cyclopentyl-2,2-dimethylhexan-3-ol
PubChem CID57260402
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name5-cyclopentyl-2,2-dimethylhexan-3-ol
SMILESCC(CC(O)C(C)(C)C)C1CCCC1
InChIInChI=1S/C13H26O/c1-10(11-7-5-6-8-11)9-12(14)13(2,3)4/h10-12,14H,5-9H2,1-4H3
InChIKeyRUXUCJKUXNSPPA-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptylpropane-1,2-diol
CID 103452573
(5-cyclobutyl-4-methylhexan-2-yl)cyclopentane
CID 123949424
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
ethane;4-methylpentan-2-ylcyclobutane
CID 158871771
3-cyclododecylbutan-2-ol
CID 10444334
3-cyclobutylbutan-2-ol
CID 54399039
7-cyclohexyloctan-4-ol
CID 66612590
6-cyclohexyl-4-methylheptan-1-ol
CID 142413508
(1S,3R)-1-cyclopentylbutane-1,3-diol
CID 130757763
1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 115778397
butan-2-ylcyclohexadecane
CID 123713671
1-cyclopentylpropan-2-ylcyclopentane
CID 57131610

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2,2-dimethylhexan-3-ol?
The IUPAC name of 5-cyclopentyl-2,2-dimethylhexan-3-ol (CID 57260402) is 5-cyclopentyl-2,2-dimethylhexan-3-ol.
What is the SMILES notation for 5-cyclopentyl-2,2-dimethylhexan-3-ol?
The canonical SMILES for 5-cyclopentyl-2,2-dimethylhexan-3-ol is CC(CC(O)C(C)(C)C)C1CCCC1.
What is the InChIKey of 5-cyclopentyl-2,2-dimethylhexan-3-ol?
The InChIKey is RUXUCJKUXNSPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-10(11-7-5-6-8-11)9-12(14)13(2,3)4/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 5-cyclopentyl-2,2-dimethylhexan-3-ol?
5-cyclopentyl-2,2-dimethylhexan-3-ol has a molecular weight of 198.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2,2-dimethylhexan-3-ol is sourced from PubChem (CID 57260402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).