(Z,3E)-1-bromo-3-ethylidenehept-1-ene

C9H15Br — CID 46184747

IUPAC(Z,3E)-1-bromo-3-ethylidenehept-1-ene
SMILESC/C=C(/C=C\Br)CCCC
InChIInChI=1S/C9H15Br/c1-3-5-6-9(4-2)7-8-10/h4,7-8H,3,5-6H2,1-2H3/b8-7-,9-4+
InChIKeyXNTFWFLHDTZJEE-TZRLODCYSA-N
MW203.12 g/mol
LogP4.03
Rot. Bonds4

About (Z,3E)-1-bromo-3-ethylidenehept-1-ene

(Z,3E)-1-bromo-3-ethylidenehept-1-ene (PubChem CID 46184747) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is (Z,3E)-1-bromo-3-ethylidenehept-1-ene.

Molecular Properties

Compound Name(Z,3E)-1-bromo-3-ethylidenehept-1-ene
PubChem CID46184747
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name(Z,3E)-1-bromo-3-ethylidenehept-1-ene
SMILESC/C=C(/C=C\Br)CCCC
InChIInChI=1S/C9H15Br/c1-3-5-6-9(4-2)7-8-10/h4,7-8H,3,5-6H2,1-2H3/b8-7-,9-4+
InChIKeyXNTFWFLHDTZJEE-TZRLODCYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3E)-1-bromo-3-ethylidenehept-1-ene?
The IUPAC name of (Z,3E)-1-bromo-3-ethylidenehept-1-ene (CID 46184747) is (Z,3E)-1-bromo-3-ethylidenehept-1-ene.
What is the SMILES notation for (Z,3E)-1-bromo-3-ethylidenehept-1-ene?
The canonical SMILES for (Z,3E)-1-bromo-3-ethylidenehept-1-ene is C/C=C(/C=C\Br)CCCC.
What is the InChIKey of (Z,3E)-1-bromo-3-ethylidenehept-1-ene?
The InChIKey is XNTFWFLHDTZJEE-TZRLODCYSA-N. The full InChI is InChI=1S/C9H15Br/c1-3-5-6-9(4-2)7-8-10/h4,7-8H,3,5-6H2,1-2H3/b8-7-,9-4+.
What are the key properties of (Z,3E)-1-bromo-3-ethylidenehept-1-ene?
(Z,3E)-1-bromo-3-ethylidenehept-1-ene has a molecular weight of 203.12 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-1-bromo-3-ethylidenehept-1-ene is sourced from PubChem (CID 46184747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).