1-chloro-3-methylnon-2-ene

C10H19Cl — CID 86137129

IUPAC1-chloro-3-methylnon-2-ene
SMILESCCCCCCC(C)=CCCl
InChIInChI=1S/C10H19Cl/c1-3-4-5-6-7-10(2)8-9-11/h8H,3-7,9H2,1-2H3
InChIKeyKTTGPGBUJWXMDS-UHFFFAOYSA-N
MW174.72 g/mol
LogP4.14
Rot. Bonds6

About 1-chloro-3-methylnon-2-ene

1-chloro-3-methylnon-2-ene (PubChem CID 86137129) has the molecular formula C10H19Cl and a molecular weight of 174.72 g/mol. Its IUPAC name is 1-chloro-3-methylnon-2-ene.

Molecular Properties

Compound Name1-chloro-3-methylnon-2-ene
PubChem CID86137129
Molecular FormulaC10H19Cl
Molecular Weight174.72 g/mol
Exact Mass174.12
IUPAC Name1-chloro-3-methylnon-2-ene
SMILESCCCCCCC(C)=CCCl
InChIInChI=1S/C10H19Cl/c1-3-4-5-6-7-10(2)8-9-11/h8H,3-7,9H2,1-2H3
InChIKeyKTTGPGBUJWXMDS-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.72
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylnon-2-ene?
The IUPAC name of 1-chloro-3-methylnon-2-ene (CID 86137129) is 1-chloro-3-methylnon-2-ene.
What is the SMILES notation for 1-chloro-3-methylnon-2-ene?
The canonical SMILES for 1-chloro-3-methylnon-2-ene is CCCCCCC(C)=CCCl.
What is the InChIKey of 1-chloro-3-methylnon-2-ene?
The InChIKey is KTTGPGBUJWXMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl/c1-3-4-5-6-7-10(2)8-9-11/h8H,3-7,9H2,1-2H3.
What are the key properties of 1-chloro-3-methylnon-2-ene?
1-chloro-3-methylnon-2-ene has a molecular weight of 174.72 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylnon-2-ene is sourced from PubChem (CID 86137129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).