4-(1-hydroxycyclopentyl)cycloheptan-1-ol

C12H22O2 — CID 173416259

IUPAC4-(1-hydroxycyclopentyl)cycloheptan-1-ol
SMILESOC1CCCC(C2(O)CCCC2)CC1
InChIInChI=1S/C12H22O2/c13-11-5-3-4-10(6-7-11)12(14)8-1-2-9-12/h10-11,13-14H,1-9H2
InChIKeyLYQRUKUVVNHEQF-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.23
Rot. Bonds1

About 4-(1-hydroxycyclopentyl)cycloheptan-1-ol

4-(1-hydroxycyclopentyl)cycloheptan-1-ol (PubChem CID 173416259) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-(1-hydroxycyclopentyl)cycloheptan-1-ol.

Molecular Properties

Compound Name4-(1-hydroxycyclopentyl)cycloheptan-1-ol
PubChem CID173416259
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4-(1-hydroxycyclopentyl)cycloheptan-1-ol
SMILESOC1CCCC(C2(O)CCCC2)CC1
InChIInChI=1S/C12H22O2/c13-11-5-3-4-10(6-7-11)12(14)8-1-2-9-12/h10-11,13-14H,1-9H2
InChIKeyLYQRUKUVVNHEQF-UHFFFAOYSA-N
XLogP2.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 102059632
ethane;4-(4-hydroxycyclohexyl)piperidin-4-ol
CID 144699991
4-(1-methylcyclopentyl)cyclohexan-1-ol
CID 69367175
cyclobutanol;cyclopropanol
CID 175019048
1-cyclobutyl-3-methoxycyclohexan-1-ol
CID 106873805
(4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol
CID 6936934
4-cyclopentylazepan-4-ol
CID 83684103
1,2,3,4,5,6,7,7a-octahydroindene-3a,4-diol
CID 13396648
2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol
CID 130150685
4-cyclopentyl-1-ethylazepan-4-ol
CID 65077802
2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol chloride
CID 44665065
4-cyclohexylpiperidin-4-ol
CID 44598718

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxycyclopentyl)cycloheptan-1-ol?
The IUPAC name of 4-(1-hydroxycyclopentyl)cycloheptan-1-ol (CID 173416259) is 4-(1-hydroxycyclopentyl)cycloheptan-1-ol.
What is the SMILES notation for 4-(1-hydroxycyclopentyl)cycloheptan-1-ol?
The canonical SMILES for 4-(1-hydroxycyclopentyl)cycloheptan-1-ol is OC1CCCC(C2(O)CCCC2)CC1.
What is the InChIKey of 4-(1-hydroxycyclopentyl)cycloheptan-1-ol?
The InChIKey is LYQRUKUVVNHEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c13-11-5-3-4-10(6-7-11)12(14)8-1-2-9-12/h10-11,13-14H,1-9H2.
What are the key properties of 4-(1-hydroxycyclopentyl)cycloheptan-1-ol?
4-(1-hydroxycyclopentyl)cycloheptan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxycyclopentyl)cycloheptan-1-ol is sourced from PubChem (CID 173416259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).