3-(1-chloroethyl)-2,2-dimethyltetradecane

C18H37Cl — CID 57214058

IUPAC3-(1-chloroethyl)-2,2-dimethyltetradecane
SMILESCCCCCCCCCCCC(C(C)Cl)C(C)(C)C
InChIInChI=1S/C18H37Cl/c1-6-7-8-9-10-11-12-13-14-15-17(16(2)19)18(3,4)5/h16-17H,6-15H2,1-5H3
InChIKeyJCKUDYMTIVFOPB-UHFFFAOYSA-N
MW288.95 g/mol
LogP7.20
Rot. Bonds11

About 3-(1-chloroethyl)-2,2-dimethyltetradecane

3-(1-chloroethyl)-2,2-dimethyltetradecane (PubChem CID 57214058) has the molecular formula C18H37Cl and a molecular weight of 288.95 g/mol. Its IUPAC name is 3-(1-chloroethyl)-2,2-dimethyltetradecane.

Molecular Properties

Compound Name3-(1-chloroethyl)-2,2-dimethyltetradecane
PubChem CID57214058
Molecular FormulaC18H37Cl
Molecular Weight288.95 g/mol
Exact Mass288.26
IUPAC Name3-(1-chloroethyl)-2,2-dimethyltetradecane
SMILESCCCCCCCCCCCC(C(C)Cl)C(C)(C)C
InChIInChI=1S/C18H37Cl/c1-6-7-8-9-10-11-12-13-14-15-17(16(2)19)18(3,4)5/h16-17H,6-15H2,1-5H3
InChIKeyJCKUDYMTIVFOPB-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.95
LogP ≤ 57.20
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 3-(1-chloroethyl)-2,2-dimethyltetradecane 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

3-chloro-2,2-dimethylhexadecane
CID 63461295
2,2,3-trimethylundecane
CID 21285055
3-chloro-2-methyltetradecane
CID 63459285
6-tert-butyl-7-(3-methylpentyl)tridecane
CID 173260029
azane;2-chloropentadecane
CID 88746937
9-tert-butylhenicosane
CID 150708915
2-chloro-2,3-dimethyltridecane
CID 87222996
2-chloro-2,3-dimethylnonane
CID 87897655
1,1-dichloroheptane
CID 13184
17-chlorotritriacontane
CID 87852962
3-(2-aminopropan-2-yl)nonan-2-ol
CID 87504447
2-tert-butyloctadecane-1,3-diol
CID 137437929

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-2,2-dimethyltetradecane?
The IUPAC name of 3-(1-chloroethyl)-2,2-dimethyltetradecane (CID 57214058) is 3-(1-chloroethyl)-2,2-dimethyltetradecane.
What is the SMILES notation for 3-(1-chloroethyl)-2,2-dimethyltetradecane?
The canonical SMILES for 3-(1-chloroethyl)-2,2-dimethyltetradecane is CCCCCCCCCCCC(C(C)Cl)C(C)(C)C.
What is the InChIKey of 3-(1-chloroethyl)-2,2-dimethyltetradecane?
The InChIKey is JCKUDYMTIVFOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37Cl/c1-6-7-8-9-10-11-12-13-14-15-17(16(2)19)18(3,4)5/h16-17H,6-15H2,1-5H3.
What are the key properties of 3-(1-chloroethyl)-2,2-dimethyltetradecane?
3-(1-chloroethyl)-2,2-dimethyltetradecane has a molecular weight of 288.95 g/mol, XLogP of 7.20, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-2,2-dimethyltetradecane is sourced from PubChem (CID 57214058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).