(2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene

C10H15Br — CID 172586692

IUPAC(2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene
SMILESC=C(/C(Br)=C\C=C/C)C(C)C
InChIInChI=1S/C10H15Br/c1-5-6-7-10(11)9(4)8(2)3/h5-8H,4H2,1-3H3/b6-5-,10-7+
InChIKeyGOKXETXEOAFRTL-ZZWPSLBBSA-N
MW215.13 g/mol
LogP4.05
Rot. Bonds3

About (2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene

(2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene (PubChem CID 172586692) has the molecular formula C10H15Br and a molecular weight of 215.13 g/mol. Its IUPAC name is (2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene
PubChem CID172586692
Molecular FormulaC10H15Br
Molecular Weight215.13 g/mol
Exact Mass214.04
IUPAC Name(2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene
SMILESC=C(/C(Br)=C\C=C/C)C(C)C
InChIInChI=1S/C10H15Br/c1-5-6-7-10(11)9(4)8(2)3/h5-8H,4H2,1-3H3/b6-5-,10-7+
InChIKeyGOKXETXEOAFRTL-ZZWPSLBBSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-5-methyl-6-methylidenenona-2,4,7-triene
CID 123192453
(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane
CID 145319399
ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene
CID 91077238
[(Z)-3,5-dimethyl-4-methylidenehex-2-enylidene]-hydridotungsten
CID 155744599
N,N,2,4-tetramethyl-3-methylidenepent-1-en-1-amine
CID 123516073
(2Z,4E,6E)-4-bromoocta-2,4,6-triene
CID 89381350
ethane;(3E,5Z)-3-propan-2-yloxyhepta-1,3,5-triene
CID 143474027
[(3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-2-yl]cyclobutane
CID 171506572
O-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]hydroxylamine
CID 146533192
(2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile
CID 147215892
(E)-3,5-dimethyl-4-methylidenehex-2-enoic acid
CID 159434204

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene?
The IUPAC name of (2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene (CID 172586692) is (2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene.
What is the SMILES notation for (2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene?
The canonical SMILES for (2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene is C=C(/C(Br)=C\C=C/C)C(C)C.
What is the InChIKey of (2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene?
The InChIKey is GOKXETXEOAFRTL-ZZWPSLBBSA-N. The full InChI is InChI=1S/C10H15Br/c1-5-6-7-10(11)9(4)8(2)3/h5-8H,4H2,1-3H3/b6-5-,10-7+.
What are the key properties of (2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene?
(2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene has a molecular weight of 215.13 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene is sourced from PubChem (CID 172586692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).