(4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene

C10H19Cl — CID 126687241

IUPAC(4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene
SMILESCCC(=C(C)C)[C@@H](C)CCCl
InChIInChI=1S/C10H19Cl/c1-5-10(8(2)3)9(4)6-7-11/h9H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyNSDLMAOFOQSYSH-VIFPVBQESA-N
MW174.71 g/mol
LogP4.00
Rot. Bonds4

About (4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene

(4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene (PubChem CID 126687241) has the molecular formula C10H19Cl and a molecular weight of 174.71 g/mol. Its IUPAC name is (4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene.

Molecular Properties

Compound Name(4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene
PubChem CID126687241
Molecular FormulaC10H19Cl
Molecular Weight174.71 g/mol
Exact Mass174.12
IUPAC Name(4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene
SMILESCCC(=C(C)C)[C@@H](C)CCCl
InChIInChI=1S/C10H19Cl/c1-5-10(8(2)3)9(4)6-7-11/h9H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyNSDLMAOFOQSYSH-VIFPVBQESA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.71
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Citronellyl chloride
CID 9815366
(2-Chloroethyl)-1,2,3,4-tetramethylcyclopentadiene
CID 11019555
(3R)-2-(chloromethyl)-1-methyl-3-propan-2-ylcyclopentene
CID 11052123
(E)-6-chloro-3,4,6-trimethylhept-2-ene
CID 170848958
(4R,6R)-6-chloro-2,4-dimethylhept-2-ene
CID 170849205
5-Chloro-4-fluoro-2,3,6-trimethyl-1-propan-2-ylcycloheptene
CID 169580483
Dichloromenthene
CID 129696892
6-Chloro-2,3,6-trimethylhept-2-ene
CID 14367912
6-Chloro-2,3,5,6-tetramethylhept-2-ene
CID 14367916
8-Chloro-2,4,6-trimethylnon-2-ene
CID 86260523
(4R,6S)-6-chloro-2,4-dimethylhept-2-ene
CID 170849206
(6R)-8-chloro-2,6-dimethyloct-2-ene
CID 11367286

Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene?
The IUPAC name of (4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene (CID 126687241) is (4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene.
What is the SMILES notation for (4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene?
The canonical SMILES for (4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene is CCC(=C(C)C)[C@@H](C)CCCl.
What is the InChIKey of (4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene?
The InChIKey is NSDLMAOFOQSYSH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19Cl/c1-5-10(8(2)3)9(4)6-7-11/h9H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of (4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene?
(4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene has a molecular weight of 174.71 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-3-ethyl-2,4-dimethylhex-2-ene is sourced from PubChem (CID 126687241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).