3-chloro-2-methyltetradecane

C15H31Cl — CID 63459285

IUPAC3-chloro-2-methyltetradecane
SMILESCCCCCCCCCCCC(Cl)C(C)C
InChIInChI=1S/C15H31Cl/c1-4-5-6-7-8-9-10-11-12-13-15(16)14(2)3/h14-15H,4-13H2,1-3H3
InChIKeySRBIQIZWRGCBNA-UHFFFAOYSA-N
MW246.87 g/mol
LogP6.17
Rot. Bonds11

About 3-chloro-2-methyltetradecane

3-chloro-2-methyltetradecane (PubChem CID 63459285) has the molecular formula C15H31Cl and a molecular weight of 246.87 g/mol. Its IUPAC name is 3-chloro-2-methyltetradecane.

Molecular Properties

Compound Name3-chloro-2-methyltetradecane
PubChem CID63459285
Molecular FormulaC15H31Cl
Molecular Weight246.87 g/mol
Exact Mass246.21
IUPAC Name3-chloro-2-methyltetradecane
SMILESCCCCCCCCCCCC(Cl)C(C)C
InChIInChI=1S/C15H31Cl/c1-4-5-6-7-8-9-10-11-12-13-15(16)14(2)3/h14-15H,4-13H2,1-3H3
InChIKeySRBIQIZWRGCBNA-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
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

3-chloro-2-methylheptane
CID 523767
azane;2-chloropentadecane
CID 88746937
3-chloro-4-methylhexadecane
CID 63560129
4-chloro-5-methylundecane
CID 83051980
17-chlorotritriacontane
CID 87852962
1,1-dichloroheptane
CID 13184
2-chloro-1,1-dimethoxynonane
CID 14619929
2-methyl-3-propan-2-yltetradecane
CID 154298453
8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479
2,3-dimethylnonacosane
CID 71331945
9,10-dichlorooctadecane-1-sulfonic acid
CID 20540418

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyltetradecane?
The IUPAC name of 3-chloro-2-methyltetradecane (CID 63459285) is 3-chloro-2-methyltetradecane.
What is the SMILES notation for 3-chloro-2-methyltetradecane?
The canonical SMILES for 3-chloro-2-methyltetradecane is CCCCCCCCCCCC(Cl)C(C)C.
What is the InChIKey of 3-chloro-2-methyltetradecane?
The InChIKey is SRBIQIZWRGCBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31Cl/c1-4-5-6-7-8-9-10-11-12-13-15(16)14(2)3/h14-15H,4-13H2,1-3H3.
What are the key properties of 3-chloro-2-methyltetradecane?
3-chloro-2-methyltetradecane has a molecular weight of 246.87 g/mol, XLogP of 6.17, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyltetradecane is sourced from PubChem (CID 63459285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).