4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one

C14H22O2 — CID 106651235

IUPAC4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one
SMILESO=C1CCC(O)(C2=CCCCCCC2)CC1
InChIInChI=1S/C14H22O2/c15-13-8-10-14(16,11-9-13)12-6-4-2-1-3-5-7-12/h6,16H,1-5,7-11H2
InChIKeyKJQHKSFBYPVLMV-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.14
Rot. Bonds1

About 4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one

4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one (PubChem CID 106651235) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one.

Molecular Properties

Compound Name4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one
PubChem CID106651235
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one
SMILESO=C1CCC(O)(C2=CCCCCCC2)CC1
InChIInChI=1S/C14H22O2/c15-13-8-10-14(16,11-9-13)12-6-4-2-1-3-5-7-12/h6,16H,1-5,7-11H2
InChIKeyKJQHKSFBYPVLMV-UHFFFAOYSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexen-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 106651138
3-(cycloocten-1-yl)piperidin-3-ol
CID 106650906
3-(cyclohepten-1-yl)-1-methylpyrrolidin-3-ol
CID 106650886
3-amino-1-(cycloocten-1-yl)cyclohexan-1-ol
CID 106651371
1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 106651160
4-(cycloocten-1-yl)-1-propylazepan-4-ol
CID 106651193
1-(cyclohepten-1-yl)-4-propylcycloheptan-1-ol
CID 106651210
3-amino-1-(cyclohexen-1-yl)cyclohexan-1-ol
CID 106651372
1-(cyclohepten-1-yl)cyclohex-2-en-1-ol
CID 106651589
4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 22950908
3-(cyclohepten-1-yl)-5,5-dimethylthian-3-ol
CID 106651318
1-(cyclohexen-1-yl)cyclohexan-1-amine
CID 56996461

Frequently Asked Questions

What is the IUPAC name of 4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one?
The IUPAC name of 4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one (CID 106651235) is 4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one.
What is the SMILES notation for 4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one?
The canonical SMILES for 4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one is O=C1CCC(O)(C2=CCCCCCC2)CC1.
What is the InChIKey of 4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one?
The InChIKey is KJQHKSFBYPVLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c15-13-8-10-14(16,11-9-13)12-6-4-2-1-3-5-7-12/h6,16H,1-5,7-11H2.
What are the key properties of 4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one?
4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one is sourced from PubChem (CID 106651235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).