(Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane

C17H32O — CID 178167922

IUPAC(Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane
SMILESC=C/C(=C\C)CC(C(=O)C(C)C)C(C)C.CCC
InChIInChI=1S/C14H24O.C3H8/c1-7-12(8-2)9-13(10(3)4)14(15)11(5)6;1-3-2/h7-8,10-11,13H,1,9H2,2-6H3;3H2,1-2H3/b12-8+;
InChIKeyDIDLYPJQWBIPFP-MXZHIVQLSA-N
MW252.44 g/mol
LogP5.42
Rot. Bonds6

About (Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane

(Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane (PubChem CID 178167922) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is (Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane.

Molecular Properties

Compound Name(Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane
PubChem CID178167922
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name(Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane
SMILESC=C/C(=C\C)CC(C(=O)C(C)C)C(C)C.CCC
InChIInChI=1S/C14H24O.C3H8/c1-7-12(8-2)9-13(10(3)4)14(15)11(5)6;1-3-2/h7-8,10-11,13H,1,9H2,2-6H3;3H2,1-2H3/b12-8+;
InChIKeyDIDLYPJQWBIPFP-MXZHIVQLSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane with MolForge

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Related Compounds

methyl (3R)-5-methyl-4-oxo-3-propan-2-ylhexanoate
CID 59615802
(6Z,8Z)-4-amino-6-ethenyl-2-methyldeca-6,8-dien-3-one
CID 153342117
(3Z)-3-ethylidene-5-methoxyhex-1-ene
CID 145145637
3-ethylideneoct-1-ene
CID 91511297
propane;propan-2-one;prop-1-ene
CID 160807834
3-methyl-2-(prop-2-enoylamino)butanoic acid
CID 3320462
tris(prop-2-enoic acid);2,2,3-trimethylpentane
CID 175962971
6-methyl-4-oxo-2-propan-2-ylheptanoic acid
CID 76763066
5-hydroxy-6-methylhept-1-en-3-one
CID 10606842
(E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine
CID 156896524
methyl N-[(2S)-4-methyl-3-oxo-2-propan-2-ylpentyl]carbamate
CID 163903219
2-penta-1,3-dien-3-ylbutanedioic acid
CID 173235520

Frequently Asked Questions

What is the IUPAC name of (Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane?
The IUPAC name of (Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane (CID 178167922) is (Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane.
What is the SMILES notation for (Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane?
The canonical SMILES for (Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane is C=C/C(=C\C)CC(C(=O)C(C)C)C(C)C.CCC.
What is the InChIKey of (Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane?
The InChIKey is DIDLYPJQWBIPFP-MXZHIVQLSA-N. The full InChI is InChI=1S/C14H24O.C3H8/c1-7-12(8-2)9-13(10(3)4)14(15)11(5)6;1-3-2/h7-8,10-11,13H,1,9H2,2-6H3;3H2,1-2H3/b12-8+;.
What are the key properties of (Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane?
(Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane has a molecular weight of 252.44 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-ethenyl-2-methyl-4-propan-2-yloct-6-en-3-one;propane is sourced from PubChem (CID 178167922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).