1,1-dibromo-3-ethylhept-1-ene

C9H16Br2 — CID 86711721

IUPAC1,1-dibromo-3-ethylhept-1-ene
SMILESCCCCC(C=C(Br)Br)CC
InChIInChI=1S/C9H16Br2/c1-3-5-6-8(4-2)7-9(10)11/h7-8H,3-6H2,1-2H3
InChIKeyIYSBRDCJLKPLOS-UHFFFAOYSA-N
MW284.03 g/mol
LogP4.83
Rot. Bonds5

About 1,1-dibromo-3-ethylhept-1-ene

1,1-dibromo-3-ethylhept-1-ene (PubChem CID 86711721) has the molecular formula C9H16Br2 and a molecular weight of 284.03 g/mol. Its IUPAC name is 1,1-dibromo-3-ethylhept-1-ene.

Molecular Properties

Compound Name1,1-dibromo-3-ethylhept-1-ene
PubChem CID86711721
Molecular FormulaC9H16Br2
Molecular Weight284.03 g/mol
Exact Mass281.96
IUPAC Name1,1-dibromo-3-ethylhept-1-ene
SMILESCCCCC(C=C(Br)Br)CC
InChIInChI=1S/C9H16Br2/c1-3-5-6-8(4-2)7-9(10)11/h7-8H,3-6H2,1-2H3
InChIKeyIYSBRDCJLKPLOS-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(Z)-4-ethyl-2-methyloct-2-enoic acid
CID 5354816
3-ethylhept-1-ene
CID 12923943
[(E)-4-ethyloct-2-en-2-yl]-dimethyl-sulfanylidene-λ5-phosphane
CID 25208506
(E)-4-ethyl-2-methylundec-2-enoic acid
CID 23505055
(NE)-N-(2-ethylhexylidene)hydroxylamine
CID 11252077
2-ethylhexanal;tantalum
CID 87424385
(3R)-3-ethyloct-1-ene
CID 50898077
2-ethylhexanal;methane
CID 139299505
2-ethylhexanal;phosphane
CID 174518467
1,1-dibromo-3-methylnon-1-ene
CID 135202124
5-ethylnon-3-ene
CID 91177059
(2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol
CID 46189708

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-3-ethylhept-1-ene?
The IUPAC name of 1,1-dibromo-3-ethylhept-1-ene (CID 86711721) is 1,1-dibromo-3-ethylhept-1-ene.
What is the SMILES notation for 1,1-dibromo-3-ethylhept-1-ene?
The canonical SMILES for 1,1-dibromo-3-ethylhept-1-ene is CCCCC(C=C(Br)Br)CC.
What is the InChIKey of 1,1-dibromo-3-ethylhept-1-ene?
The InChIKey is IYSBRDCJLKPLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Br2/c1-3-5-6-8(4-2)7-9(10)11/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,1-dibromo-3-ethylhept-1-ene?
1,1-dibromo-3-ethylhept-1-ene has a molecular weight of 284.03 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-3-ethylhept-1-ene is sourced from PubChem (CID 86711721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).