2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene

C12H14Cl2 — CID 124548037

IUPAC2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene
SMILESC=CC[C@H](CC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2/c1-3-5-9(4-2)11-7-6-10(13)8-12(11)14/h3,6-9H,1,4-5H2,2H3/t9-/m0/s1
InChIKeyBJKCXWVKQQZKFG-VIFPVBQESA-N
MW229.15 g/mol
LogP5.06
Rot. Bonds4

About 2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene

2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene (PubChem CID 124548037) has the molecular formula C12H14Cl2 and a molecular weight of 229.15 g/mol. Its IUPAC name is 2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene
PubChem CID124548037
Molecular FormulaC12H14Cl2
Molecular Weight229.15 g/mol
Exact Mass228.05
IUPAC Name2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene
SMILESC=CC[C@H](CC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2/c1-3-5-9(4-2)11-7-6-10(13)8-12(11)14/h3,6-9H,1,4-5H2,2H3/t9-/m0/s1
InChIKeyBJKCXWVKQQZKFG-VIFPVBQESA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.15
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
1-(1-bromopent-4-en-2-yl)-2,4-dichlorobenzene
CID 141179142
1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene
CID 83943763
methyl 2-(2,4-dichlorophenyl)pent-4-enoate
CID 21499630
5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene
CID 83938767
2,4-dichloro-1-octan-4-ylbenzene
CID 130458080
1-(4-chloro-2-methylphenyl)but-3-en-1-ol
CID 2757691
1-(1-bromohexan-2-yl)-2,4-dichlorobenzene
CID 141179146
2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929
N-[1-(2,4-dichlorophenyl)ethyl]hex-5-en-2-amine
CID 104655327
1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028050
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene?
The IUPAC name of 2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene (CID 124548037) is 2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene is C=CC[C@H](CC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene?
The InChIKey is BJKCXWVKQQZKFG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14Cl2/c1-3-5-9(4-2)11-7-6-10(13)8-12(11)14/h3,6-9H,1,4-5H2,2H3/t9-/m0/s1.
What are the key properties of 2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene?
2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene has a molecular weight of 229.15 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(3S)-hex-5-en-3-yl]benzene is sourced from PubChem (CID 124548037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).