2-chloro-2,3-dimethylnonane

C11H23Cl — CID 87897655

IUPAC2-chloro-2,3-dimethylnonane
SMILESCCCCCCC(C)C(C)(C)Cl
InChIInChI=1S/C11H23Cl/c1-5-6-7-8-9-10(2)11(3,4)12/h10H,5-9H2,1-4H3
InChIKeyGMGKXSXZKMULBH-UHFFFAOYSA-N
MW190.76 g/mol
LogP4.61
Rot. Bonds6

About 2-chloro-2,3-dimethylnonane

2-chloro-2,3-dimethylnonane (PubChem CID 87897655) has the molecular formula C11H23Cl and a molecular weight of 190.76 g/mol. Its IUPAC name is 2-chloro-2,3-dimethylnonane.

Molecular Properties

Compound Name2-chloro-2,3-dimethylnonane
PubChem CID87897655
Molecular FormulaC11H23Cl
Molecular Weight190.76 g/mol
Exact Mass190.15
IUPAC Name2-chloro-2,3-dimethylnonane
SMILESCCCCCCC(C)C(C)(C)Cl
InChIInChI=1S/C11H23Cl/c1-5-6-7-8-9-10(2)11(3,4)12/h10H,5-9H2,1-4H3
InChIKeyGMGKXSXZKMULBH-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.76
LogP ≤ 54.61
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'}

Analyze 2-chloro-2,3-dimethylnonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-2,3-dimethyltridecane
CID 87222996
4-chloro-4,5-dimethyltridecane
CID 152641357
2,2,3-trimethylundecane
CID 21285055
9-(2-chloropropan-2-yl)heptacosane
CID 151482832
1,6-dichloro-5,6-dimethylheptane
CID 150904715
9-(2-chloropropan-2-yl)heptadecane
CID 151028033
12-chloro-13-methyl-12-undecyltetracosane
CID 88839941
13-chloro-13-dodecyl-14-methylhexacosane
CID 88839869
3-chloro-3,4-dimethyldodec-1-ene
CID 150187034
2,3-dimethylhexadecan-2-amine
CID 87479269
3-methylheptadecane-2,2-diamine
CID 141040528
2,3,3,4-tetramethylnonadecane
CID 174953704

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,3-dimethylnonane?
The IUPAC name of 2-chloro-2,3-dimethylnonane (CID 87897655) is 2-chloro-2,3-dimethylnonane.
What is the SMILES notation for 2-chloro-2,3-dimethylnonane?
The canonical SMILES for 2-chloro-2,3-dimethylnonane is CCCCCCC(C)C(C)(C)Cl.
What is the InChIKey of 2-chloro-2,3-dimethylnonane?
The InChIKey is GMGKXSXZKMULBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23Cl/c1-5-6-7-8-9-10(2)11(3,4)12/h10H,5-9H2,1-4H3.
What are the key properties of 2-chloro-2,3-dimethylnonane?
2-chloro-2,3-dimethylnonane has a molecular weight of 190.76 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,3-dimethylnonane is sourced from PubChem (CID 87897655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).