8-chloro-2,4,6-trimethylnon-2-ene

C12H23Cl — CID 86260523

IUPAC8-chloro-2,4,6-trimethylnon-2-ene
SMILESCC(C)=CC(C)CC(C)CC(C)Cl
InChIInChI=1S/C12H23Cl/c1-9(2)6-10(3)7-11(4)8-12(5)13/h6,10-12H,7-8H2,1-5H3
InChIKeyYZLJCLLUVUYXQE-UHFFFAOYSA-N
MW202.77 g/mol
LogP4.63
Rot. Bonds5

About 8-chloro-2,4,6-trimethylnon-2-ene

8-chloro-2,4,6-trimethylnon-2-ene (PubChem CID 86260523) has the molecular formula C12H23Cl and a molecular weight of 202.77 g/mol. Its IUPAC name is 8-chloro-2,4,6-trimethylnon-2-ene.

Molecular Properties

Compound Name8-chloro-2,4,6-trimethylnon-2-ene
PubChem CID86260523
Molecular FormulaC12H23Cl
Molecular Weight202.77 g/mol
Exact Mass202.15
IUPAC Name8-chloro-2,4,6-trimethylnon-2-ene
SMILESCC(C)=CC(C)CC(C)CC(C)Cl
InChIInChI=1S/C12H23Cl/c1-9(2)6-10(3)7-11(4)8-12(5)13/h6,10-12H,7-8H2,1-5H3
InChIKeyYZLJCLLUVUYXQE-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.77
LogP ≤ 54.63
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

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CID 558039
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(4R)-2,4-dimethylhex-2-ene
CID 142611901
(2E,4R,6S)-4,6,8-trimethylnona-2,7-dienoyl chloride
CID 10910907
4-chloro-2-methylpent-2-ene
CID 12535659
2,4-dimethylpent-2-ene;lutetium;2,4,7,9-tetramethyldeca-2,8-diene
CID 57404171
(8Z)-2,4,6-trimethyl-7-methylidenedeca-2,8-diene
CID 177061133
4-methylpent-3-en-2-yl thiohypochlorite
CID 167216241
2,6-dimethylocta-2,7-dien-4-ol
CID 15596211
2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene
CID 123612539
4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal
CID 166734043
(E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol
CID 101374149

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,4,6-trimethylnon-2-ene?
The IUPAC name of 8-chloro-2,4,6-trimethylnon-2-ene (CID 86260523) is 8-chloro-2,4,6-trimethylnon-2-ene.
What is the SMILES notation for 8-chloro-2,4,6-trimethylnon-2-ene?
The canonical SMILES for 8-chloro-2,4,6-trimethylnon-2-ene is CC(C)=CC(C)CC(C)CC(C)Cl.
What is the InChIKey of 8-chloro-2,4,6-trimethylnon-2-ene?
The InChIKey is YZLJCLLUVUYXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Cl/c1-9(2)6-10(3)7-11(4)8-12(5)13/h6,10-12H,7-8H2,1-5H3.
What are the key properties of 8-chloro-2,4,6-trimethylnon-2-ene?
8-chloro-2,4,6-trimethylnon-2-ene has a molecular weight of 202.77 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,4,6-trimethylnon-2-ene is sourced from PubChem (CID 86260523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).