4-chloro-5-methylundecane

C12H25Cl — CID 83051980

IUPAC4-chloro-5-methylundecane
SMILESCCCCCCC(C)C(Cl)CCC
InChIInChI=1S/C12H25Cl/c1-4-6-7-8-10-11(3)12(13)9-5-2/h11-12H,4-10H2,1-3H3
InChIKeyYFNODBWPNCGVPM-UHFFFAOYSA-N
MW204.78 g/mol
LogP5.00
Rot. Bonds8

About 4-chloro-5-methylundecane

4-chloro-5-methylundecane (PubChem CID 83051980) has the molecular formula C12H25Cl and a molecular weight of 204.78 g/mol. Its IUPAC name is 4-chloro-5-methylundecane.

Molecular Properties

Compound Name4-chloro-5-methylundecane
PubChem CID83051980
Molecular FormulaC12H25Cl
Molecular Weight204.78 g/mol
Exact Mass204.16
IUPAC Name4-chloro-5-methylundecane
SMILESCCCCCCC(C)C(Cl)CCC
InChIInChI=1S/C12H25Cl/c1-4-6-7-8-10-11(3)12(13)9-5-2/h11-12H,4-10H2,1-3H3
InChIKeyYFNODBWPNCGVPM-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.78
LogP ≤ 55.00
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

3-chloro-4-methylhexadecane
CID 63560129
4,5-dimethylnonadecane
CID 123321090
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyltricosane
CID 173430605
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
5,6,14,15-tetramethylnonadecane
CID 123473711
2,3,14,15-tetramethylhenicosane
CID 123460288
3,4-dimethyldecane;ethane
CID 170980289
3-chloro-2-methyltetradecane
CID 63459285
2,3-dimethylnonacosane
CID 71331945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methylundecane?
The IUPAC name of 4-chloro-5-methylundecane (CID 83051980) is 4-chloro-5-methylundecane.
What is the SMILES notation for 4-chloro-5-methylundecane?
The canonical SMILES for 4-chloro-5-methylundecane is CCCCCCC(C)C(Cl)CCC.
What is the InChIKey of 4-chloro-5-methylundecane?
The InChIKey is YFNODBWPNCGVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25Cl/c1-4-6-7-8-10-11(3)12(13)9-5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-chloro-5-methylundecane?
4-chloro-5-methylundecane has a molecular weight of 204.78 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methylundecane is sourced from PubChem (CID 83051980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).