(2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one

C11H18O — CID 15253208

IUPAC(2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one
SMILESCCC/C=C/[C@@H]1CCCCC1=O
InChIInChI=1S/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h4,7,10H,2-3,5-6,8-9H2,1H3/b7-4+/t10-/m1/s1
InChIKeyJVKBUJNZSYXZAW-LJJSCBMDSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds3

About (2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one

(2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one (PubChem CID 15253208) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one
PubChem CID15253208
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one
SMILESCCC/C=C/[C@@H]1CCCCC1=O
InChIInChI=1S/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h4,7,10H,2-3,5-6,8-9H2,1H3/b7-4+/t10-/m1/s1
InChIKeyJVKBUJNZSYXZAW-LJJSCBMDSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one?
The IUPAC name of (2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one (CID 15253208) is (2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one.
What is the SMILES notation for (2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one?
The canonical SMILES for (2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one is CCC/C=C/[C@@H]1CCCCC1=O.
What is the InChIKey of (2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one?
The InChIKey is JVKBUJNZSYXZAW-LJJSCBMDSA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h4,7,10H,2-3,5-6,8-9H2,1H3/b7-4+/t10-/m1/s1.
What are the key properties of (2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one?
(2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one has a molecular weight of 166.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E)-pent-1-enyl]cyclohexan-1-one is sourced from PubChem (CID 15253208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).