1-chloro-4-methylnonane

C10H21Cl — CID 91046803

IUPAC1-chloro-4-methylnonane
SMILESCCCCCC(C)CCCCl
InChIInChI=1S/C10H21Cl/c1-3-4-5-7-10(2)8-6-9-11/h10H,3-9H2,1-2H3
InChIKeyOOPQEXGLVNQXSF-UHFFFAOYSA-N
MW176.73 g/mol
LogP4.22
Rot. Bonds7

About 1-chloro-4-methylnonane

1-chloro-4-methylnonane (PubChem CID 91046803) has the molecular formula C10H21Cl and a molecular weight of 176.73 g/mol. Its IUPAC name is 1-chloro-4-methylnonane.

Molecular Properties

Compound Name1-chloro-4-methylnonane
PubChem CID91046803
Molecular FormulaC10H21Cl
Molecular Weight176.73 g/mol
Exact Mass176.13
IUPAC Name1-chloro-4-methylnonane
SMILESCCCCCC(C)CCCCl
InChIInChI=1S/C10H21Cl/c1-3-4-5-7-10(2)8-6-9-11/h10H,3-9H2,1-2H3
InChIKeyOOPQEXGLVNQXSF-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.73
LogP ≤ 54.22
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylnonane?
The IUPAC name of 1-chloro-4-methylnonane (CID 91046803) is 1-chloro-4-methylnonane.
What is the SMILES notation for 1-chloro-4-methylnonane?
The canonical SMILES for 1-chloro-4-methylnonane is CCCCCC(C)CCCCl.
What is the InChIKey of 1-chloro-4-methylnonane?
The InChIKey is OOPQEXGLVNQXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21Cl/c1-3-4-5-7-10(2)8-6-9-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-chloro-4-methylnonane?
1-chloro-4-methylnonane has a molecular weight of 176.73 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylnonane is sourced from PubChem (CID 91046803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).