2-bromo-7-methyl-3-methylideneocta-1,6-diene

C10H15Br — CID 23247411

IUPAC2-bromo-7-methyl-3-methylideneocta-1,6-diene
SMILESC=C(Br)C(=C)CCC=C(C)C
InChIInChI=1S/C10H15Br/c1-8(2)6-5-7-9(3)10(4)11/h6H,3-5,7H2,1-2H3
InChIKeyCIUZFTFTYDBZIT-UHFFFAOYSA-N
MW215.13 g/mol
LogP4.20
Rot. Bonds4

About 2-bromo-7-methyl-3-methylideneocta-1,6-diene

2-bromo-7-methyl-3-methylideneocta-1,6-diene (PubChem CID 23247411) has the molecular formula C10H15Br and a molecular weight of 215.13 g/mol. Its IUPAC name is 2-bromo-7-methyl-3-methylideneocta-1,6-diene.

Molecular Properties

Compound Name2-bromo-7-methyl-3-methylideneocta-1,6-diene
PubChem CID23247411
Molecular FormulaC10H15Br
Molecular Weight215.13 g/mol
Exact Mass214.04
IUPAC Name2-bromo-7-methyl-3-methylideneocta-1,6-diene
SMILESC=C(Br)C(=C)CCC=C(C)C
InChIInChI=1S/C10H15Br/c1-8(2)6-5-7-9(3)10(4)11/h6H,3-5,7H2,1-2H3
InChIKeyCIUZFTFTYDBZIT-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-bromo-3-methylhex-2-ene
CID 14321353
(3E)-3-(bromomethylidene)-7-methylocta-1,6-diene
CID 23247412
(3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene
CID 23247413
3-(Bromomethylidene)-7-methylocta-1,6-diene
CID 71441548
6-Bromo-2-methylhept-2-ene
CID 11745448
1-Bromo-4-methyl-3-heptene
CID 53663285
(6E)-9-bromo-2,6-dimethylnona-2,6-diene
CID 12051808
(Z)-3-bromooct-2-ene
CID 13181431
(E)-4-bromooct-4-ene
CID 13093303
(Z)-4-bromooct-4-ene
CID 13093304
3-Citronellyl bromide
CID 11378947
1-Bromo-4,8-dimethyldeca-3,7-diene
CID 14235229

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-methyl-3-methylideneocta-1,6-diene?
The IUPAC name of 2-bromo-7-methyl-3-methylideneocta-1,6-diene (CID 23247411) is 2-bromo-7-methyl-3-methylideneocta-1,6-diene.
What is the SMILES notation for 2-bromo-7-methyl-3-methylideneocta-1,6-diene?
The canonical SMILES for 2-bromo-7-methyl-3-methylideneocta-1,6-diene is C=C(Br)C(=C)CCC=C(C)C.
What is the InChIKey of 2-bromo-7-methyl-3-methylideneocta-1,6-diene?
The InChIKey is CIUZFTFTYDBZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br/c1-8(2)6-5-7-9(3)10(4)11/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-bromo-7-methyl-3-methylideneocta-1,6-diene?
2-bromo-7-methyl-3-methylideneocta-1,6-diene has a molecular weight of 215.13 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-methyl-3-methylideneocta-1,6-diene is sourced from PubChem (CID 23247411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).