(4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene

C12H19Br — CID 101195298

IUPAC(4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene
SMILESC=CC/C(=C\CBr)CCC=C(C)C
InChIInChI=1S/C12H19Br/c1-4-6-12(9-10-13)8-5-7-11(2)3/h4,7,9H,1,5-6,8,10H2,2-3H3/b12-9+
InChIKeyIIMHCNXJFGOYMY-FMIVXFBMSA-N
MW243.19 g/mol
LogP4.63
Rot. Bonds6

About (4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene

(4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene (PubChem CID 101195298) has the molecular formula C12H19Br and a molecular weight of 243.19 g/mol. Its IUPAC name is (4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene.

Molecular Properties

Compound Name(4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene
PubChem CID101195298
Molecular FormulaC12H19Br
Molecular Weight243.19 g/mol
Exact Mass242.07
IUPAC Name(4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene
SMILESC=CC/C(=C\CBr)CCC=C(C)C
InChIInChI=1S/C12H19Br/c1-4-6-12(9-10-13)8-5-7-11(2)3/h4,7,9H,1,5-6,8,10H2,2-3H3/b12-9+
InChIKeyIIMHCNXJFGOYMY-FMIVXFBMSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethylidene-8-methylnona-1,7-diene;7-methylocta-1,6-diene
CID 161280162
(6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene
CID 88841659
(4E)-8-methyl-4-prop-2-enylnona-4,8-dienal
CID 100952255
(2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol
CID 100952257
2-bromo-6-methylhepta-1,5-diene
CID 12000295
(2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene
CID 58792351
7-methyl-3-methylideneocta-1,6-diene
CID 173118544
2-ethylidene-6-methylhept-5-en-1-ol
CID 54249540
6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene
CID 123903824
[(2E)-3,7-dimethylocta-2,6-dienyl] but-3-enoate
CID 139889116
(3E,6E)-7-ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
CID 14753114
(6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene
CID 101345792

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene?
The IUPAC name of (4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene (CID 101195298) is (4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene.
What is the SMILES notation for (4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene?
The canonical SMILES for (4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene is C=CC/C(=C\CBr)CCC=C(C)C.
What is the InChIKey of (4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene?
The InChIKey is IIMHCNXJFGOYMY-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H19Br/c1-4-6-12(9-10-13)8-5-7-11(2)3/h4,7,9H,1,5-6,8,10H2,2-3H3/b12-9+.
What are the key properties of (4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene?
(4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene has a molecular weight of 243.19 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(2-bromoethylidene)-8-methylnona-1,7-diene is sourced from PubChem (CID 101195298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).