trans-(2S,6R)-2-hydroxy-2,6-bis(prop-2-enyl)cyclohexan-1-one

C12H18O2 — CID 102011604

IUPACtrans-(2S,6R)-2-hydroxy-2,6-bis(prop-2-enyl)cyclohexan-1-one
SMILESC=CC[C@H]1CCC[C@](O)(CC=C)C1=O
InChIInChI=1S/C12H18O2/c1-3-6-10-7-5-9-12(14,8-4-2)11(10)13/h3-4,10,14H,1-2,5-9H2/t10-,12+/m0/s1
InChIKeyLCWXKYZWXFBBIT-CMPLNLGQSA-N
MW194.27 g/mol
LogP2.24
Rot. Bonds4

About trans-(2S,6R)-2-hydroxy-2,6-bis(prop-2-enyl)cyclohexan-1-one

trans-(2S,6R)-2-hydroxy-2,6-bis(prop-2-enyl)cyclohexan-1-one (PubChem CID 102011604) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is trans-(2S,6R)-2-hydroxy-2,6-bis(prop-2-enyl)cyclohexan-1-one.

Molecular Properties

Compound Nametrans-(2S,6R)-2-hydroxy-2,6-bis(prop-2-enyl)cyclohexan-1-one
PubChem CID102011604
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Nametrans-(2S,6R)-2-hydroxy-2,6-bis(prop-2-enyl)cyclohexan-1-one
SMILESC=CC[C@H]1CCC[C@](O)(CC=C)C1=O
InChIInChI=1S/C12H18O2/c1-3-6-10-7-5-9-12(14,8-4-2)11(10)13/h3-4,10,14H,1-2,5-9H2/t10-,12+/m0/s1
InChIKeyLCWXKYZWXFBBIT-CMPLNLGQSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(2S,6R)-2-hydroxy-2,6-bis(prop-2-enyl)cyclohexan-1-one?
The IUPAC name of trans-(2S,6R)-2-hydroxy-2,6-bis(prop-2-enyl)cyclohexan-1-one (CID 102011604) is trans-(2S,6R)-2-hydroxy-2,6-bis(prop-2-enyl)cyclohexan-1-one.
What is the SMILES notation for trans-(2S,6R)-2-hydroxy-2,6-bis(prop-2-enyl)cyclohexan-1-one?
The canonical SMILES for trans-(2S,6R)-2-hydroxy-2,6-bis(prop-2-enyl)cyclohexan-1-one is C=CC[C@H]1CCC[C@](O)(CC=C)C1=O.
What is the InChIKey of trans-(2S,6R)-2-hydroxy-2,6-bis(prop-2-enyl)cyclohexan-1-one?
The InChIKey is LCWXKYZWXFBBIT-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-6-10-7-5-9-12(14,8-4-2)11(10)13/h3-4,10,14H,1-2,5-9H2/t10-,12+/m0/s1.
What are the key properties of trans-(2S,6R)-2-hydroxy-2,6-bis(prop-2-enyl)cyclohexan-1-one?
trans-(2S,6R)-2-hydroxy-2,6-bis(prop-2-enyl)cyclohexan-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,6R)-2-hydroxy-2,6-bis(prop-2-enyl)cyclohexan-1-one is sourced from PubChem (CID 102011604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).