6-[(3-ethenylphenyl)methyl]nonan-2-one

C18H26O — CID 143818930

IUPAC6-[(3-ethenylphenyl)methyl]nonan-2-one
SMILESC=Cc1cccc(CC(CCC)CCCC(C)=O)c1
InChIInChI=1S/C18H26O/c1-4-8-17(11-6-9-15(3)19)14-18-12-7-10-16(5-2)13-18/h5,7,10,12-13,17H,2,4,6,8-9,11,14H2,1,3H3
InChIKeySJZWHORIRZBZIB-UHFFFAOYSA-N
MW258.41 g/mol
LogP5.05
Rot. Bonds9

About 6-[(3-ethenylphenyl)methyl]nonan-2-one

6-[(3-ethenylphenyl)methyl]nonan-2-one (PubChem CID 143818930) has the molecular formula C18H26O and a molecular weight of 258.41 g/mol. Its IUPAC name is 6-[(3-ethenylphenyl)methyl]nonan-2-one.

Molecular Properties

Compound Name6-[(3-ethenylphenyl)methyl]nonan-2-one
PubChem CID143818930
Molecular FormulaC18H26O
Molecular Weight258.41 g/mol
Exact Mass258.20
IUPAC Name6-[(3-ethenylphenyl)methyl]nonan-2-one
SMILESC=Cc1cccc(CC(CCC)CCCC(C)=O)c1
InChIInChI=1S/C18H26O/c1-4-8-17(11-6-9-15(3)19)14-18-12-7-10-16(5-2)13-18/h5,7,10,12-13,17H,2,4,6,8-9,11,14H2,1,3H3
InChIKeySJZWHORIRZBZIB-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.41
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3-ethenylphenyl)methyl]heptan-1-amine
CID 140670772
(3-ethenylphenyl)methyl butanoate
CID 89419306
methyl 3-(3-ethenylphenyl)-2-[[2-(heptanoylamino)acetyl]amino]propanoate
CID 142093353
2-propylhept-6-enylbenzene
CID 123998172
1-but-1-en-2-yl-3-(2-propylpentyl)benzene
CID 143530317
6-[3-(2,2-dibromoethenyl)phenyl]hexan-2-one
CID 122606761
1-ethenyl-3-(hexylsulfanylmethyl)benzene
CID 89419338
3-(3-oxobutyl)benzaldehyde
CID 11137650
6-[[3-[(E)-prop-1-enyl]phenyl]methoxy]hexan-2-one
CID 135222260
N-[1-[3-(2-propylpentyl)phenyl]ethenyl]pentan-1-amine
CID 143530388
1-(2-butylheptyl)-3-methylbenzene
CID 91430281
3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]phenol
CID 154938359

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethenylphenyl)methyl]nonan-2-one?
The IUPAC name of 6-[(3-ethenylphenyl)methyl]nonan-2-one (CID 143818930) is 6-[(3-ethenylphenyl)methyl]nonan-2-one.
What is the SMILES notation for 6-[(3-ethenylphenyl)methyl]nonan-2-one?
The canonical SMILES for 6-[(3-ethenylphenyl)methyl]nonan-2-one is C=Cc1cccc(CC(CCC)CCCC(C)=O)c1.
What is the InChIKey of 6-[(3-ethenylphenyl)methyl]nonan-2-one?
The InChIKey is SJZWHORIRZBZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-4-8-17(11-6-9-15(3)19)14-18-12-7-10-16(5-2)13-18/h5,7,10,12-13,17H,2,4,6,8-9,11,14H2,1,3H3.
What are the key properties of 6-[(3-ethenylphenyl)methyl]nonan-2-one?
6-[(3-ethenylphenyl)methyl]nonan-2-one has a molecular weight of 258.41 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethenylphenyl)methyl]nonan-2-one is sourced from PubChem (CID 143818930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).