3-(bromomethylidene)-7-methylocta-1,6-diene

C10H15Br — CID 71441548

IUPAC3-(bromomethylidene)-7-methylocta-1,6-diene
SMILESC=CC(=CBr)CCC=C(C)C
InChIInChI=1S/C10H15Br/c1-4-10(8-11)7-5-6-9(2)3/h4,6,8H,1,5,7H2,2-3H3
InChIKeyFNFMYXBWJOHPFE-UHFFFAOYSA-N
MW215.13 g/mol
LogP4.20
Rot. Bonds4

About 3-(bromomethylidene)-7-methylocta-1,6-diene

3-(bromomethylidene)-7-methylocta-1,6-diene (PubChem CID 71441548) has the molecular formula C10H15Br and a molecular weight of 215.13 g/mol. Its IUPAC name is 3-(bromomethylidene)-7-methylocta-1,6-diene.

Molecular Properties

Compound Name3-(bromomethylidene)-7-methylocta-1,6-diene
PubChem CID71441548
Molecular FormulaC10H15Br
Molecular Weight215.13 g/mol
Exact Mass214.04
IUPAC Name3-(bromomethylidene)-7-methylocta-1,6-diene
SMILESC=CC(=CBr)CCC=C(C)C
InChIInChI=1S/C10H15Br/c1-4-10(8-11)7-5-6-9(2)3/h4,6,8H,1,5,7H2,2-3H3
InChIKeyFNFMYXBWJOHPFE-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

2,6-Octadiene, 1-bromo-3,7-dimethyl-, (2E)-
CID 5365867
(2E,6E)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene
CID 5366048
3-Octene, 1-bromo-, (3E)-
CID 6437045
3-Octene, 1-bromo-, (3Z)-
CID 6437046
Farnesyl bromide
CID 550199
(E)-1-bromohept-2-ene
CID 11622425
1-Bromo-3-ethylpent-2-ene
CID 10965066
(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
6-Bromo-2-methylhept-2-ene
CID 11745448
1-Bromo-4-methyl-3-heptene
CID 53663285

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethylidene)-7-methylocta-1,6-diene?
The IUPAC name of 3-(bromomethylidene)-7-methylocta-1,6-diene (CID 71441548) is 3-(bromomethylidene)-7-methylocta-1,6-diene.
What is the SMILES notation for 3-(bromomethylidene)-7-methylocta-1,6-diene?
The canonical SMILES for 3-(bromomethylidene)-7-methylocta-1,6-diene is C=CC(=CBr)CCC=C(C)C.
What is the InChIKey of 3-(bromomethylidene)-7-methylocta-1,6-diene?
The InChIKey is FNFMYXBWJOHPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br/c1-4-10(8-11)7-5-6-9(2)3/h4,6,8H,1,5,7H2,2-3H3.
What are the key properties of 3-(bromomethylidene)-7-methylocta-1,6-diene?
3-(bromomethylidene)-7-methylocta-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 3-(bromomethylidene)-7-methylocta-1,6-diene is sourced from PubChem (CID 71441548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).