3-bromo-4-ethylhex-3-ene

C8H15Br — CID 134857735

IUPAC3-bromo-4-ethylhex-3-ene
SMILESCCC(Br)=C(CC)CC
InChIInChI=1S/C8H15Br/c1-4-7(5-2)8(9)6-3/h4-6H2,1-3H3
InChIKeyVXXPCCIFQPPWGF-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.87
Rot. Bonds3

About 3-bromo-4-ethylhex-3-ene

3-bromo-4-ethylhex-3-ene (PubChem CID 134857735) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 3-bromo-4-ethylhex-3-ene.

Molecular Properties

Compound Name3-bromo-4-ethylhex-3-ene
PubChem CID134857735
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name3-bromo-4-ethylhex-3-ene
SMILESCCC(Br)=C(CC)CC
InChIInChI=1S/C8H15Br/c1-4-7(5-2)8(9)6-3/h4-6H2,1-3H3
InChIKeyVXXPCCIFQPPWGF-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(E)-3-bromo-2-methylpent-2-en-1-imine
CID 156729076
4-bromohept-3-en-3-amine
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(3Z,5Z)-3-bromo-4-tert-butylocta-3,5-diene
CID 143546119
3,4-diethylhept-3-ene;ethane
CID 142049797
propanethioic S-acid
CID 87087684
2-(difluoromethylidene)butan-1-ol
CID 151776974
sodium;ethanol;selanide
CID 175218032
(E)-2-bromo-N-methylbut-1-en-1-amine
CID 139541532
1,3-dibromopent-2-ene
CID 53427811
azane;3,4,5,5-tetraethylhept-3-ene
CID 172743775
methyl (E)-3-bromo-2-[(E)-1-fluoroprop-1-enyl]pent-2-enoate
CID 166689039
(E,2Z)-2-(1-bromopropylidene)-4-methoxyhex-3-enoic acid
CID 121242416

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethylhex-3-ene?
The IUPAC name of 3-bromo-4-ethylhex-3-ene (CID 134857735) is 3-bromo-4-ethylhex-3-ene.
What is the SMILES notation for 3-bromo-4-ethylhex-3-ene?
The canonical SMILES for 3-bromo-4-ethylhex-3-ene is CCC(Br)=C(CC)CC.
What is the InChIKey of 3-bromo-4-ethylhex-3-ene?
The InChIKey is VXXPCCIFQPPWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-4-7(5-2)8(9)6-3/h4-6H2,1-3H3.
What are the key properties of 3-bromo-4-ethylhex-3-ene?
3-bromo-4-ethylhex-3-ene has a molecular weight of 191.11 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethylhex-3-ene is sourced from PubChem (CID 134857735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).