2-[(E,2S)-pent-3-en-2-yl]cyclohexan-1-one

C11H18O — CID 131246316

IUPAC2-[(E,2S)-pent-3-en-2-yl]cyclohexan-1-one
SMILESC/C=C/[C@H](C)C1CCCCC1=O
InChIInChI=1S/C11H18O/c1-3-6-9(2)10-7-4-5-8-11(10)12/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+/t9-,10?/m0/s1
InChIKeyLYZOBBSYFHZOIE-UQEKIIAJSA-N
MW166.26 g/mol
LogP2.96
Rot. Bonds2

About 2-[(E,2S)-pent-3-en-2-yl]cyclohexan-1-one

2-[(E,2S)-pent-3-en-2-yl]cyclohexan-1-one (PubChem CID 131246316) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-[(E,2S)-pent-3-en-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(E,2S)-pent-3-en-2-yl]cyclohexan-1-one
PubChem CID131246316
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-[(E,2S)-pent-3-en-2-yl]cyclohexan-1-one
SMILESC/C=C/[C@H](C)C1CCCCC1=O
InChIInChI=1S/C11H18O/c1-3-6-9(2)10-7-4-5-8-11(10)12/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+/t9-,10?/m0/s1
InChIKeyLYZOBBSYFHZOIE-UQEKIIAJSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.96
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 2-[(E,2S)-pent-3-en-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[(E,2S)-pent-3-en-2-yl]cyclohexan-1-one (CID 131246316) is 2-[(E,2S)-pent-3-en-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[(E,2S)-pent-3-en-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[(E,2S)-pent-3-en-2-yl]cyclohexan-1-one is C/C=C/[C@H](C)C1CCCCC1=O.
What is the InChIKey of 2-[(E,2S)-pent-3-en-2-yl]cyclohexan-1-one?
The InChIKey is LYZOBBSYFHZOIE-UQEKIIAJSA-N. The full InChI is InChI=1S/C11H18O/c1-3-6-9(2)10-7-4-5-8-11(10)12/h3,6,9-10H,4-5,7-8H2,1-2H3/b6-3+/t9-,10?/m0/s1.
What are the key properties of 2-[(E,2S)-pent-3-en-2-yl]cyclohexan-1-one?
2-[(E,2S)-pent-3-en-2-yl]cyclohexan-1-one has a molecular weight of 166.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,2S)-pent-3-en-2-yl]cyclohexan-1-one is sourced from PubChem (CID 131246316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).