2-chloro-2,3-dimethyltridecane

C15H31Cl — CID 87222996

IUPAC2-chloro-2,3-dimethyltridecane
SMILESCCCCCCCCCCC(C)C(C)(C)Cl
InChIInChI=1S/C15H31Cl/c1-5-6-7-8-9-10-11-12-13-14(2)15(3,4)16/h14H,5-13H2,1-4H3
InChIKeyBWZHHSAFUAIABB-UHFFFAOYSA-N
MW246.87 g/mol
LogP6.17
Rot. Bonds10

About 2-chloro-2,3-dimethyltridecane

2-chloro-2,3-dimethyltridecane (PubChem CID 87222996) has the molecular formula C15H31Cl and a molecular weight of 246.87 g/mol. Its IUPAC name is 2-chloro-2,3-dimethyltridecane.

Molecular Properties

Compound Name2-chloro-2,3-dimethyltridecane
PubChem CID87222996
Molecular FormulaC15H31Cl
Molecular Weight246.87 g/mol
Exact Mass246.21
IUPAC Name2-chloro-2,3-dimethyltridecane
SMILESCCCCCCCCCCC(C)C(C)(C)Cl
InChIInChI=1S/C15H31Cl/c1-5-6-7-8-9-10-11-12-13-14(2)15(3,4)16/h14H,5-13H2,1-4H3
InChIKeyBWZHHSAFUAIABB-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.87
LogP ≤ 56.17
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-2,3-dimethylnonane
CID 87897655
4-chloro-4,5-dimethyltridecane
CID 152641357
2,2,3-trimethylundecane
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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-dimethyltridecane?
The IUPAC name of 2-chloro-2,3-dimethyltridecane (CID 87222996) is 2-chloro-2,3-dimethyltridecane.
What is the SMILES notation for 2-chloro-2,3-dimethyltridecane?
The canonical SMILES for 2-chloro-2,3-dimethyltridecane is CCCCCCCCCCC(C)C(C)(C)Cl.
What is the InChIKey of 2-chloro-2,3-dimethyltridecane?
The InChIKey is BWZHHSAFUAIABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31Cl/c1-5-6-7-8-9-10-11-12-13-14(2)15(3,4)16/h14H,5-13H2,1-4H3.
What are the key properties of 2-chloro-2,3-dimethyltridecane?
2-chloro-2,3-dimethyltridecane has a molecular weight of 246.87 g/mol, XLogP of 6.17, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,3-dimethyltridecane is sourced from PubChem (CID 87222996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).