(3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene

C14H19Br — CID 88949201

IUPAC(3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
SMILESC=C/C(=C\C(/C=C/C(=C)C)=C(C)C)CBr
InChIInChI=1S/C14H19Br/c1-6-13(10-15)9-14(12(4)5)8-7-11(2)3/h6-9H,1-2,10H2,3-5H3/b8-7-,13-9+
InChIKeyVPXNXMJLMMNWLQ-XTYDYKDCSA-N
MW267.21 g/mol
LogP4.96
Rot. Bonds5

About (3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene

(3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene (PubChem CID 88949201) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is (3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene.

Molecular Properties

Compound Name(3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
PubChem CID88949201
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name(3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
SMILESC=C/C(=C\C(/C=C/C(=C)C)=C(C)C)CBr
InChIInChI=1S/C14H19Br/c1-6-13(10-15)9-14(12(4)5)8-7-11(2)3/h6-9H,1-2,10H2,3-5H3/b8-7-,13-9+
InChIKeyVPXNXMJLMMNWLQ-XTYDYKDCSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene
CID 153376191
(3Z)-2-methyl-5-methylidenehepta-1,3,6-triene
CID 58174936
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(3E)-3-(bromomethyl)penta-1,3-diene;ethene
CID 145426536
(2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine
CID 142547915
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 144843023
(3Z,5E)-5-bromo-2-methylhepta-1,3,5-triene;ethane
CID 144637545
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 145336589
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
(3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene
CID 142327747
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
azane;(3Z)-5-ethenyl-2,3,6-trimethylhepta-1,3,5-triene;molecular hydrogen
CID 153376220

Frequently Asked Questions

What is the IUPAC name of (3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene?
The IUPAC name of (3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene (CID 88949201) is (3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene.
What is the SMILES notation for (3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene?
The canonical SMILES for (3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene is C=C/C(=C\C(/C=C/C(=C)C)=C(C)C)CBr.
What is the InChIKey of (3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene?
The InChIKey is VPXNXMJLMMNWLQ-XTYDYKDCSA-N. The full InChI is InChI=1S/C14H19Br/c1-6-13(10-15)9-14(12(4)5)8-7-11(2)3/h6-9H,1-2,10H2,3-5H3/b8-7-,13-9+.
What are the key properties of (3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene?
(3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene has a molecular weight of 267.21 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene is sourced from PubChem (CID 88949201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).