(1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene

C10H15Br — CID 146617133

IUPAC(1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene
SMILESC=C(CCC)/C(C)=C\C=C\Br
InChIInChI=1S/C10H15Br/c1-4-6-9(2)10(3)7-5-8-11/h5,7-8H,2,4,6H2,1,3H3/b8-5+,10-7-
InChIKeyNCDHLKNUAMPPFZ-HAMFBJRISA-N
MW215.13 g/mol
LogP4.20
Rot. Bonds4

About (1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene

(1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene (PubChem CID 146617133) has the molecular formula C10H15Br and a molecular weight of 215.13 g/mol. Its IUPAC name is (1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene.

Molecular Properties

Compound Name(1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene
PubChem CID146617133
Molecular FormulaC10H15Br
Molecular Weight215.13 g/mol
Exact Mass214.04
IUPAC Name(1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene
SMILESC=C(CCC)/C(C)=C\C=C\Br
InChIInChI=1S/C10H15Br/c1-4-6-9(2)10(3)7-5-8-11/h5,7-8H,2,4,6H2,1,3H3/b8-5+,10-7-
InChIKeyNCDHLKNUAMPPFZ-HAMFBJRISA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z)-5-methyl-6-methylidenedodeca-2,4-diene
CID 143693858
4,5-dimethylideneoctane
CID 13294231
3,7-dimethyldeca-1,4,6-triene
CID 123725882
(Z)-3-methyl-4-methylideneoct-2-ene
CID 121232770
(E)-2-bromo-4-methylidenehept-2-ene
CID 139476034
4,7-dimethylidenedecane
CID 543440
2-methyl-5-methylideneoct-2-en-4-one
CID 123326322
(Z)-6-chloro-3-methyl-4-methylidenehex-2-ene
CID 59891141
3-methylidenehex-1-ene-2-thiol
CID 143714389
(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene
CID 171555067
(3Z,5E)-3-methylnona-1,3,5-trien-2-ol
CID 142863796
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene?
The IUPAC name of (1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene (CID 146617133) is (1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene.
What is the SMILES notation for (1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene?
The canonical SMILES for (1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene is C=C(CCC)/C(C)=C\C=C\Br.
What is the InChIKey of (1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene?
The InChIKey is NCDHLKNUAMPPFZ-HAMFBJRISA-N. The full InChI is InChI=1S/C10H15Br/c1-4-6-9(2)10(3)7-5-8-11/h5,7-8H,2,4,6H2,1,3H3/b8-5+,10-7-.
What are the key properties of (1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene?
(1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-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 (1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene is sourced from PubChem (CID 146617133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).