1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene

C11H16BrCl — CID 88825739

IUPAC1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene
SMILESCCCCC1C=C(/C=C(/Cl)Br)CC1
InChIInChI=1S/C11H16BrCl/c1-2-3-4-9-5-6-10(7-9)8-11(12)13/h7-9H,2-6H2,1H3/b11-8+
InChIKeyGVVSHIYYHHMTGL-DHZHZOJOSA-N
MW263.61 g/mol
LogP4.99
Rot. Bonds4

About 1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene

1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene (PubChem CID 88825739) has the molecular formula C11H16BrCl and a molecular weight of 263.61 g/mol. Its IUPAC name is 1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene.

Molecular Properties

Compound Name1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene
PubChem CID88825739
Molecular FormulaC11H16BrCl
Molecular Weight263.61 g/mol
Exact Mass262.01
IUPAC Name1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene
SMILESCCCCC1C=C(/C=C(/Cl)Br)CC1
InChIInChI=1S/C11H16BrCl/c1-2-3-4-9-5-6-10(7-9)8-11(12)13/h7-9H,2-6H2,1H3/b11-8+
InChIKeyGVVSHIYYHHMTGL-DHZHZOJOSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.61
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 135077004
CID 135077004
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
(3-butylcyclohexen-1-yl)oxy-trimethylsilane
CID 597983
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
4-butyl-1,3-dimethylcyclohexene;methanol
CID 20561551
4-butylcyclopent-2-en-1-ol
CID 13414982
7-[3-[3-(5-hydroxyheptyl)cyclopenten-1-yl]cyclopent-2-en-1-yl]heptan-3-ol
CID 57192812
1-bromo-3-butylcyclopentane
CID 64508261
5-butyl-1-ethenylcyclohexa-1,3-diene
CID 14764390
3-(bromomethyl)-2-butylcyclohexan-1-one
CID 10911853
3-butylbicyclo[2.1.1]hex-1(5)-ene
CID 163677365

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene?
The IUPAC name of 1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene (CID 88825739) is 1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene.
What is the SMILES notation for 1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene?
The canonical SMILES for 1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene is CCCCC1C=C(/C=C(/Cl)Br)CC1.
What is the InChIKey of 1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene?
The InChIKey is GVVSHIYYHHMTGL-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H16BrCl/c1-2-3-4-9-5-6-10(7-9)8-11(12)13/h7-9H,2-6H2,1H3/b11-8+.
What are the key properties of 1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene?
1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene has a molecular weight of 263.61 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-bromo-2-chloroethenyl]-3-butylcyclopentene is sourced from PubChem (CID 88825739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).