5-chlorohept-1-en-2-ylbenzene

C13H17Cl — CID 66808379

IUPAC5-chlorohept-1-en-2-ylbenzene
SMILESC=C(CCC(Cl)CC)c1ccccc1
InChIInChI=1S/C13H17Cl/c1-3-13(14)10-9-11(2)12-7-5-4-6-8-12/h4-8,13H,2-3,9-10H2,1H3
InChIKeyQTUHWUUXRJHSFU-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.50
Rot. Bonds5

About 5-chlorohept-1-en-2-ylbenzene

5-chlorohept-1-en-2-ylbenzene (PubChem CID 66808379) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 5-chlorohept-1-en-2-ylbenzene.

Molecular Properties

Compound Name5-chlorohept-1-en-2-ylbenzene
PubChem CID66808379
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name5-chlorohept-1-en-2-ylbenzene
SMILESC=C(CCC(Cl)CC)c1ccccc1
InChIInChI=1S/C13H17Cl/c1-3-13(14)10-9-11(2)12-7-5-4-6-8-12/h4-8,13H,2-3,9-10H2,1H3
InChIKeyQTUHWUUXRJHSFU-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-methylhept-1-en-2-ylbenzene
CID 90870775
pent-1-en-2-ylbenzene
CID 521761
N-butan-2-yl-3-phenylbut-3-en-1-amine
CID 70499013
18-methylnonadec-1-en-2-ylbenzene;12-methyltridec-1-en-2-ylbenzene
CID 173456642
(1-ethyl-5-phenylhexa-1,5-dienyl)benzene
CID 57250345
CID 101454794
CID 101454794
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
2-phenylprop-2-en-1-amine;propane
CID 143101756
2-chloro-4-methyl-1-phenylpent-4-en-1-one
CID 14508132
N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865
1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene
CID 20523347
trimethoxy(3-phenylbut-3-enyl)silane
CID 66830761

Frequently Asked Questions

What is the IUPAC name of 5-chlorohept-1-en-2-ylbenzene?
The IUPAC name of 5-chlorohept-1-en-2-ylbenzene (CID 66808379) is 5-chlorohept-1-en-2-ylbenzene.
What is the SMILES notation for 5-chlorohept-1-en-2-ylbenzene?
The canonical SMILES for 5-chlorohept-1-en-2-ylbenzene is C=C(CCC(Cl)CC)c1ccccc1.
What is the InChIKey of 5-chlorohept-1-en-2-ylbenzene?
The InChIKey is QTUHWUUXRJHSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c1-3-13(14)10-9-11(2)12-7-5-4-6-8-12/h4-8,13H,2-3,9-10H2,1H3.
What are the key properties of 5-chlorohept-1-en-2-ylbenzene?
5-chlorohept-1-en-2-ylbenzene has a molecular weight of 208.73 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorohept-1-en-2-ylbenzene is sourced from PubChem (CID 66808379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).