1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane

C16H29BrO — CID 143477692

IUPAC1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane
SMILESCC.CC(=O)C1CCC/C(=C/Br)CCCC1(C)C
InChIInChI=1S/C14H23BrO.C2H6/c1-11(16)13-8-4-6-12(10-15)7-5-9-14(13,2)3;1-2/h10,13H,4-9H2,1-3H3;1-2H3/b12-10-;
InChIKeyGJAMOTNKGGEDEO-BBJSDXRSSA-N
MW317.31 g/mol
LogP5.88
Rot. Bonds1

About 1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane

1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane (PubChem CID 143477692) has the molecular formula C16H29BrO and a molecular weight of 317.31 g/mol. Its IUPAC name is 1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane.

Molecular Properties

Compound Name1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane
PubChem CID143477692
Molecular FormulaC16H29BrO
Molecular Weight317.31 g/mol
Exact Mass316.14
IUPAC Name1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane
SMILESCC.CC(=O)C1CCC/C(=C/Br)CCCC1(C)C
InChIInChI=1S/C14H23BrO.C2H6/c1-11(16)13-8-4-6-12(10-15)7-5-9-14(13,2)3;1-2/h10,13H,4-9H2,1-3H3;1-2H3/b12-10-;
InChIKeyGJAMOTNKGGEDEO-BBJSDXRSSA-N
XLogP5.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.31
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S,3aR,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanone
CID 67493624
1-[(1S,3aR,4E,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanone
CID 59456514
1-[(2Z)-2-(bromomethylidene)-1-methylcyclopentyl]ethanone
CID 13429439
(1S)-2,2-dimethylcyclohexane-1-carboxamide
CID 90019535
1-(2,2-difluorocyclohexyl)ethanone
CID 131187691
(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107176215
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
cyclopentyl-(2,2-dimethylcyclohexyl)methanone
CID 107186605
(E)-4-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylbut-3-en-2-one
CID 25155605
(2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107176525
cycloheptyl-(2,2-dimethylcyclopentyl)methanone
CID 107187376
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456

Frequently Asked Questions

What is the IUPAC name of 1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane?
The IUPAC name of 1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane (CID 143477692) is 1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane.
What is the SMILES notation for 1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane?
The canonical SMILES for 1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane is CC.CC(=O)C1CCC/C(=C/Br)CCCC1(C)C.
What is the InChIKey of 1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane?
The InChIKey is GJAMOTNKGGEDEO-BBJSDXRSSA-N. The full InChI is InChI=1S/C14H23BrO.C2H6/c1-11(16)13-8-4-6-12(10-15)7-5-9-14(13,2)3;1-2/h10,13H,4-9H2,1-3H3;1-2H3/b12-10-;.
What are the key properties of 1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane?
1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane has a molecular weight of 317.31 g/mol, XLogP of 5.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6Z)-6-(bromomethylidene)-2,2-dimethylcyclononyl]ethanone;ethane is sourced from PubChem (CID 143477692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).