2-bromo-5-methylidenehepta-1,3-diene

C8H11Br — CID 123950056

IUPAC2-bromo-5-methylidenehepta-1,3-diene
SMILESC=C(Br)C=CC(=C)CC
InChIInChI=1S/C8H11Br/c1-4-7(2)5-6-8(3)9/h5-6H,2-4H2,1H3
InChIKeyCCFWBPAWSOMDKC-UHFFFAOYSA-N
MW187.08 g/mol
LogP3.42
Rot. Bonds3

About 2-bromo-5-methylidenehepta-1,3-diene

2-bromo-5-methylidenehepta-1,3-diene (PubChem CID 123950056) has the molecular formula C8H11Br and a molecular weight of 187.08 g/mol. Its IUPAC name is 2-bromo-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name2-bromo-5-methylidenehepta-1,3-diene
PubChem CID123950056
Molecular FormulaC8H11Br
Molecular Weight187.08 g/mol
Exact Mass186.00
IUPAC Name2-bromo-5-methylidenehepta-1,3-diene
SMILESC=C(Br)C=CC(=C)CC
InChIInChI=1S/C8H11Br/c1-4-7(2)5-6-8(3)9/h5-6H,2-4H2,1H3
InChIKeyCCFWBPAWSOMDKC-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.08
LogP ≤ 53.42
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

(Z)-5-methylidenehept-3-en-2-one
CID 123321874
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
ethane;(Z)-1-methoxy-3,6-dimethylideneoct-4-ene
CID 142994407
(E)-3-methylidenepent-1-en-1-amine
CID 154554960
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 142281411
(2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol
CID 142113261
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(3Z)-N,N-diethyl-5-methylidenehepta-1,3-dien-2-amine
CID 142937124
5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
CID 91256552
(1E,3Z)-2-chloro-5-methylidenehepta-1,3-dien-1-amine
CID 90048186
(3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine
CID 144802636

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylidenehepta-1,3-diene?
The IUPAC name of 2-bromo-5-methylidenehepta-1,3-diene (CID 123950056) is 2-bromo-5-methylidenehepta-1,3-diene.
What is the SMILES notation for 2-bromo-5-methylidenehepta-1,3-diene?
The canonical SMILES for 2-bromo-5-methylidenehepta-1,3-diene is C=C(Br)C=CC(=C)CC.
What is the InChIKey of 2-bromo-5-methylidenehepta-1,3-diene?
The InChIKey is CCFWBPAWSOMDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br/c1-4-7(2)5-6-8(3)9/h5-6H,2-4H2,1H3.
What are the key properties of 2-bromo-5-methylidenehepta-1,3-diene?
2-bromo-5-methylidenehepta-1,3-diene has a molecular weight of 187.08 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 123950056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).