cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone

C18H30O2 — CID 101090893

IUPACcyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone
SMILESO=C(C1CCCCC1)[C@H]1CCC[C@]1(O)C1CCCCC1
InChIInChI=1S/C18H30O2/c19-17(14-8-3-1-4-9-14)16-12-7-13-18(16,20)15-10-5-2-6-11-15/h14-16,20H,1-13H2/t16-,18+/m1/s1
InChIKeyBOGZUNNWPLJIQS-AEFFLSMTSA-N
MW278.44 g/mol
LogP4.25
Rot. Bonds3

About cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone

cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone (PubChem CID 101090893) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone
PubChem CID101090893
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Namecyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone
SMILESO=C(C1CCCCC1)[C@H]1CCC[C@]1(O)C1CCCCC1
InChIInChI=1S/C18H30O2/c19-17(14-8-3-1-4-9-14)16-12-7-13-18(16,20)15-10-5-2-6-11-15/h14-16,20H,1-13H2/t16-,18+/m1/s1
InChIKeyBOGZUNNWPLJIQS-AEFFLSMTSA-N
XLogP4.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid
CID 102532516
cycloheptyl-(2,2-dimethylcyclopentyl)methanone
CID 107187376
cyclopentyl-(2,2-dimethylcyclohexyl)methanone
CID 107186605
1-cyclohexyl-2-(2-cyclohexyl-2-hydroxycyclopropyl)ethanone
CID 23652070
dicyclohexylmethanone;formaldehyde
CID 175300134
1-cyclohexyl-2-methylcyclohexan-1-ol
CID 43809284
(3aS)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 102059632
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
(3S,3aS,6aR)-3-ethynyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ol
CID 100969657
cyclohexanol;dicyclohexylmethanone
CID 174532304
spiro[5.6]dodecane-12-carboxylic acid
CID 59513338

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone?
The IUPAC name of cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone (CID 101090893) is cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone.
What is the SMILES notation for cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone?
The canonical SMILES for cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone is O=C(C1CCCCC1)[C@H]1CCC[C@]1(O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone?
The InChIKey is BOGZUNNWPLJIQS-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H30O2/c19-17(14-8-3-1-4-9-14)16-12-7-13-18(16,20)15-10-5-2-6-11-15/h14-16,20H,1-13H2/t16-,18+/m1/s1.
What are the key properties of cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone?
cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone has a molecular weight of 278.44 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone is sourced from PubChem (CID 101090893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).