2-chloro-4-methyldecane

C11H23Cl — CID 64720351

IUPAC2-chloro-4-methyldecane
SMILESCCCCCCC(C)CC(C)Cl
InChIInChI=1S/C11H23Cl/c1-4-5-6-7-8-10(2)9-11(3)12/h10-11H,4-9H2,1-3H3
InChIKeyQKXKJSGGDIDGBZ-UHFFFAOYSA-N
MW190.76 g/mol
LogP4.61
Rot. Bonds7

About 2-chloro-4-methyldecane

2-chloro-4-methyldecane (PubChem CID 64720351) has the molecular formula C11H23Cl and a molecular weight of 190.76 g/mol. Its IUPAC name is 2-chloro-4-methyldecane.

Molecular Properties

Compound Name2-chloro-4-methyldecane
PubChem CID64720351
Molecular FormulaC11H23Cl
Molecular Weight190.76 g/mol
Exact Mass190.15
IUPAC Name2-chloro-4-methyldecane
SMILESCCCCCCC(C)CC(C)Cl
InChIInChI=1S/C11H23Cl/c1-4-5-6-7-8-10(2)9-11(3)12/h10-11H,4-9H2,1-3H3
InChIKeyQKXKJSGGDIDGBZ-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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'}

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Related Compounds

2-chloro-4-methylhexadecane
CID 64720574
6,8-dimethylhexadecane
CID 91185725
1-[(6-chloro-4-methylheptoxy)methoxy]nonane
CID 172535231
15,19,21-trimethylheptatriacontane
CID 20837834
2,4-dimethyltetradecane
CID 53423723
(4R,6S)-4,6-dimethyldodecane
CID 162976966
(4S)-2,4-dimethylicosane
CID 134952934
5,15,17-trimethylpentatriacontane
CID 172565406
9-methyldocosane
CID 22223822
10,20-dimethyltriacontane
CID 91752048
13-methyldotriacontane
CID 6430396
27-methyltripentacontane
CID 91450521

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyldecane?
The IUPAC name of 2-chloro-4-methyldecane (CID 64720351) is 2-chloro-4-methyldecane.
What is the SMILES notation for 2-chloro-4-methyldecane?
The canonical SMILES for 2-chloro-4-methyldecane is CCCCCCC(C)CC(C)Cl.
What is the InChIKey of 2-chloro-4-methyldecane?
The InChIKey is QKXKJSGGDIDGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23Cl/c1-4-5-6-7-8-10(2)9-11(3)12/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-chloro-4-methyldecane?
2-chloro-4-methyldecane has a molecular weight of 190.76 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyldecane is sourced from PubChem (CID 64720351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).