trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol

C10H16O — CID 12692992

IUPACtrans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol
SMILESO[C@H]1CC[C@@H]1C1=CCCCC1
InChIInChI=1S/C10H16O/c11-10-7-6-9(10)8-4-2-1-3-5-8/h4,9-11H,1-3,5-7H2/t9-,10+/m1/s1
InChIKeyVSBABVYAVPWQSM-ZJUUUORDSA-N
MW152.24 g/mol
LogP2.26
Rot. Bonds1

About trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol

trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol (PubChem CID 12692992) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol
PubChem CID12692992
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Nametrans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol
SMILESO[C@H]1CC[C@@H]1C1=CCCCC1
InChIInChI=1S/C10H16O/c11-10-7-6-9(10)8-4-2-1-3-5-8/h4,9-11H,1-3,5-7H2/t9-,10+/m1/s1
InChIKeyVSBABVYAVPWQSM-ZJUUUORDSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 78062967
(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 101144558
(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene
CID 141390482
(1S,6aS)-1,2,3,5,6,6a-hexahydropentalen-1-ol
CID 92842902
7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene
CID 589378
1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone
CID 71527330
(1S,6aR)-1,2,4,5,6,6a-hexahydropentalen-1-ol
CID 131207368
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930
2-(cyclohexen-1-yl)bicyclo[2.2.1]heptane
CID 154721857
cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol
CID 166972270
5-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene
CID 22020032

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol?
The IUPAC name of trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol (CID 12692992) is trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol is O[C@H]1CC[C@@H]1C1=CCCCC1.
What is the InChIKey of trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol?
The InChIKey is VSBABVYAVPWQSM-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H16O/c11-10-7-6-9(10)8-4-2-1-3-5-8/h4,9-11H,1-3,5-7H2/t9-,10+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol?
trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol is sourced from PubChem (CID 12692992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).