(4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one

C10H14O — CID 162922621

IUPAC(4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one
SMILESC=C[C@H](C(=C)C)C(=O)C(=C)C
InChIInChI=1S/C10H14O/c1-6-9(7(2)3)10(11)8(4)5/h6,9H,1-2,4H2,3,5H3/t9-/m1/s1
InChIKeyPPTCSTJLHHXGRL-SECBINFHSA-N
MW150.22 g/mol
LogP2.51
Rot. Bonds4

About (4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one

(4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one (PubChem CID 162922621) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one.

Molecular Properties

Compound Name(4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one
PubChem CID162922621
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one
SMILESC=C[C@H](C(=C)C)C(=O)C(=C)C
InChIInChI=1S/C10H14O/c1-6-9(7(2)3)10(11)8(4)5/h6,9H,1-2,4H2,3,5H3/t9-/m1/s1
InChIKeyPPTCSTJLHHXGRL-SECBINFHSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-6-hepten-3-one
CID 117297
6-Methylhept-1-en-3-one
CID 20384912
5-Methyl-1-hexen-3-one
CID 3014081
4-Methyl-1-hexen-3-one
CID 15724302
4-Methyl-1-hepten-3-one
CID 53807856
1-Cyclopropyl-2-methylprop-2-en-1-one
CID 12870153
4-Ethyl-6-hepten-3-one
CID 15273629
5-Methyl-3-methylene-2-hexanone
CID 14473
5-Hexen-2-one, 3-(2-propenyl)-
CID 11355514
2-Methylhept-6-en-3-one
CID 12388032
Hept-6-en-2-one, 5-methyl
CID 14140886
1,7-Octadien-3-one, 2,6-dimethyl-, (-)-
CID 15840279

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one?
The IUPAC name of (4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one (CID 162922621) is (4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one.
What is the SMILES notation for (4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one?
The canonical SMILES for (4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one is C=C[C@H](C(=C)C)C(=O)C(=C)C.
What is the InChIKey of (4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one?
The InChIKey is PPTCSTJLHHXGRL-SECBINFHSA-N. The full InChI is InChI=1S/C10H14O/c1-6-9(7(2)3)10(11)8(4)5/h6,9H,1-2,4H2,3,5H3/t9-/m1/s1.
What are the key properties of (4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one?
(4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one has a molecular weight of 150.22 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-one is sourced from PubChem (CID 162922621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).