2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene

C12H15Br — CID 91077238

IUPAC2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene
SMILESC=C(Br)C=CC(=C)C(C)=CC=CC
InChIInChI=1S/C12H15Br/c1-5-6-7-10(2)11(3)8-9-12(4)13/h5-9H,3-4H2,1-2H3
InChIKeyLPQBBAXJYJAAPK-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.53
Rot. Bonds4

About 2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene

2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene (PubChem CID 91077238) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene.

Molecular Properties

Compound Name2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene
PubChem CID91077238
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene
SMILESC=C(Br)C=CC(=C)C(C)=CC=CC
InChIInChI=1S/C12H15Br/c1-5-6-7-10(2)11(3)8-9-12(4)13/h5-9H,3-4H2,1-2H3
InChIKeyLPQBBAXJYJAAPK-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.53
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
(3Z)-2-bromopenta-1,3-diene
CID 89363869
(2E,4E,6Z)-3,4-dimethylocta-2,4,6-triene
CID 91748402
(3Z)-2-bromo-6-methylhepta-1,3,5-triene
CID 118586502
(3Z,6Z)-2,6-dimethyl-5-methylideneocta-1,3,6-triene
CID 166131805
(2Z,4E,6E)-4-bromoocta-2,4,6-triene
CID 89381350
(3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene
CID 144553948
(2Z,5E,7Z)-5,8-dimethyl-4-methylidenedeca-2,5,7-triene
CID 143769871
1-methyl-3-[1-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]sulfanylethenyl]benzene
CID 143844986
(4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane
CID 159683667
4-[(3E,5E,9Z,12E,14Z)-3-amino-7,12-dimethyl-8,11-dimethylidenehexadeca-1,3,5,9,12,14-hexaen-7-yl]aniline
CID 146643581
(2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene
CID 172586692

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene?
The IUPAC name of 2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene (CID 91077238) is 2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene.
What is the SMILES notation for 2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene?
The canonical SMILES for 2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene is C=C(Br)C=CC(=C)C(C)=CC=CC.
What is the InChIKey of 2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene?
The InChIKey is LPQBBAXJYJAAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c1-5-6-7-10(2)11(3)8-9-12(4)13/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene?
2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene has a molecular weight of 239.16 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methyl-5-methylidenedeca-1,3,6,8-tetraene is sourced from PubChem (CID 91077238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).