1,3-dichloro-2-propan-2-yloxydodecane

C15H30Cl2O — CID 86660581

IUPAC1,3-dichloro-2-propan-2-yloxydodecane
SMILESCCCCCCCCCC(Cl)C(CCl)OC(C)C
InChIInChI=1S/C15H30Cl2O/c1-4-5-6-7-8-9-10-11-14(17)15(12-16)18-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyLYDKNEAJXOZCGM-UHFFFAOYSA-N
MW297.31 g/mol
LogP5.77
Rot. Bonds12

About 1,3-dichloro-2-propan-2-yloxydodecane

1,3-dichloro-2-propan-2-yloxydodecane (PubChem CID 86660581) has the molecular formula C15H30Cl2O and a molecular weight of 297.31 g/mol. Its IUPAC name is 1,3-dichloro-2-propan-2-yloxydodecane.

Molecular Properties

Compound Name1,3-dichloro-2-propan-2-yloxydodecane
PubChem CID86660581
Molecular FormulaC15H30Cl2O
Molecular Weight297.31 g/mol
Exact Mass296.17
IUPAC Name1,3-dichloro-2-propan-2-yloxydodecane
SMILESCCCCCCCCCC(Cl)C(CCl)OC(C)C
InChIInChI=1S/C15H30Cl2O/c1-4-5-6-7-8-9-10-11-14(17)15(12-16)18-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyLYDKNEAJXOZCGM-UHFFFAOYSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.31
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1,3-dichloro-2-propan-2-yloxydodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-propan-2-yloxydodecane?
The IUPAC name of 1,3-dichloro-2-propan-2-yloxydodecane (CID 86660581) is 1,3-dichloro-2-propan-2-yloxydodecane.
What is the SMILES notation for 1,3-dichloro-2-propan-2-yloxydodecane?
The canonical SMILES for 1,3-dichloro-2-propan-2-yloxydodecane is CCCCCCCCCC(Cl)C(CCl)OC(C)C.
What is the InChIKey of 1,3-dichloro-2-propan-2-yloxydodecane?
The InChIKey is LYDKNEAJXOZCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30Cl2O/c1-4-5-6-7-8-9-10-11-14(17)15(12-16)18-13(2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1,3-dichloro-2-propan-2-yloxydodecane?
1,3-dichloro-2-propan-2-yloxydodecane has a molecular weight of 297.31 g/mol, XLogP of 5.77, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-propan-2-yloxydodecane is sourced from PubChem (CID 86660581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).