3-benzyl-3-ethenylhex-5-en-2-one

C15H18O — CID 101401737

IUPAC3-benzyl-3-ethenylhex-5-en-2-one
SMILESC=CCC(C=C)(Cc1ccccc1)C(C)=O
InChIInChI=1S/C15H18O/c1-4-11-15(5-2,13(3)16)12-14-9-7-6-8-10-14/h4-10H,1-2,11-12H2,3H3
InChIKeyCRUTVCYOOGAZTR-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.57
Rot. Bonds6

About 3-benzyl-3-ethenylhex-5-en-2-one

3-benzyl-3-ethenylhex-5-en-2-one (PubChem CID 101401737) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-benzyl-3-ethenylhex-5-en-2-one.

Molecular Properties

Compound Name3-benzyl-3-ethenylhex-5-en-2-one
PubChem CID101401737
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name3-benzyl-3-ethenylhex-5-en-2-one
SMILESC=CCC(C=C)(Cc1ccccc1)C(C)=O
InChIInChI=1S/C15H18O/c1-4-11-15(5-2,13(3)16)12-14-9-7-6-8-10-14/h4-10H,1-2,11-12H2,3H3
InChIKeyCRUTVCYOOGAZTR-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 154723587
(2R)-2-amino-2-benzylpent-4-enamide
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ethyl (2S)-2-acetyl-2-benzylpent-4-enoate
CID 134961684
(2S)-2-benzyl-2-methylbut-3-enoic acid
CID 93234010
3,3-dibromo-4-phenylbutan-2-one
CID 20690158
2-benzyl-2-hydroxybut-3-enoic acid
CID 101385573
4-benzylhepta-1,6-dien-4-amine
CID 15310873
(2S)-2-benzyl-2-(methoxycarbonylamino)pent-4-enoic acid
CID 67855850
methyl 2-benzyl-2-cyanopent-4-enoate
CID 122226201
3-ethenyl-3-[(4-methoxyphenyl)methyl]hexan-2-one
CID 54439154
2-amino-2-benzylbut-3-enoic acid
CID 10976314
ethyl 2-benzyl-2-fluorobut-3-enoate
CID 71480711

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-ethenylhex-5-en-2-one?
The IUPAC name of 3-benzyl-3-ethenylhex-5-en-2-one (CID 101401737) is 3-benzyl-3-ethenylhex-5-en-2-one.
What is the SMILES notation for 3-benzyl-3-ethenylhex-5-en-2-one?
The canonical SMILES for 3-benzyl-3-ethenylhex-5-en-2-one is C=CCC(C=C)(Cc1ccccc1)C(C)=O.
What is the InChIKey of 3-benzyl-3-ethenylhex-5-en-2-one?
The InChIKey is CRUTVCYOOGAZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-4-11-15(5-2,13(3)16)12-14-9-7-6-8-10-14/h4-10H,1-2,11-12H2,3H3.
What are the key properties of 3-benzyl-3-ethenylhex-5-en-2-one?
3-benzyl-3-ethenylhex-5-en-2-one has a molecular weight of 214.31 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-ethenylhex-5-en-2-one is sourced from PubChem (CID 101401737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).