4-cyclopentylheptan-4-ol

C12H24O — CID 114865959

IUPAC4-cyclopentylheptan-4-ol
SMILESCCCC(O)(CCC)C1CCCC1
InChIInChI=1S/C12H24O/c1-3-9-12(13,10-4-2)11-7-5-6-8-11/h11,13H,3-10H2,1-2H3
InChIKeyHAZDUBLSXCMHNK-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.51
Rot. Bonds5

About 4-cyclopentylheptan-4-ol

4-cyclopentylheptan-4-ol (PubChem CID 114865959) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 4-cyclopentylheptan-4-ol.

Molecular Properties

Compound Name4-cyclopentylheptan-4-ol
PubChem CID114865959
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name4-cyclopentylheptan-4-ol
SMILESCCCC(O)(CCC)C1CCCC1
InChIInChI=1S/C12H24O/c1-3-9-12(13,10-4-2)11-7-5-6-8-11/h11,13H,3-10H2,1-2H3
InChIKeyHAZDUBLSXCMHNK-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-cycloheptylheptan-4-ol
CID 114866126
3-cyclopentylpentan-3-ol;sulfane
CID 160773111
2-cyclohexylpentan-2-ol
CID 75245103
4-(2-ethylcyclohexyl)heptan-4-ol
CID 114865932
1-cyclohexyl-1-(ethylamino)butan-1-ol
CID 174869240
2-cyclohexylpropane-1,2,3-triol
CID 102037318
1-cyclohexylbutane-1,1-dithiol
CID 175490889
2-cyclobutyl-2-hydroxypentanoic acid
CID 83051264
1-cyclopentyl-2-cyclopropylbutan-2-ol
CID 65153921
1-cyclopentyl-1-cyclopropylpropan-1-ol
CID 64917248
2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol
CID 114276080
2-piperidin-3-ylpentan-2-ol
CID 63586269

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylheptan-4-ol?
The IUPAC name of 4-cyclopentylheptan-4-ol (CID 114865959) is 4-cyclopentylheptan-4-ol.
What is the SMILES notation for 4-cyclopentylheptan-4-ol?
The canonical SMILES for 4-cyclopentylheptan-4-ol is CCCC(O)(CCC)C1CCCC1.
What is the InChIKey of 4-cyclopentylheptan-4-ol?
The InChIKey is HAZDUBLSXCMHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-9-12(13,10-4-2)11-7-5-6-8-11/h11,13H,3-10H2,1-2H3.
What are the key properties of 4-cyclopentylheptan-4-ol?
4-cyclopentylheptan-4-ol has a molecular weight of 184.32 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylheptan-4-ol is sourced from PubChem (CID 114865959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).