1,1-dichloro-3-methyl-3-propan-2-yloxydecane

C14H28Cl2O — CID 177309833

IUPAC1,1-dichloro-3-methyl-3-propan-2-yloxydecane
SMILESCCCCCCCC(C)(CC(Cl)Cl)OC(C)C
InChIInChI=1S/C14H28Cl2O/c1-5-6-7-8-9-10-14(4,11-13(15)16)17-12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyMUOOLIRVXHOLSS-UHFFFAOYSA-N
MW283.28 g/mol
LogP5.72
Rot. Bonds10

About 1,1-dichloro-3-methyl-3-propan-2-yloxydecane

1,1-dichloro-3-methyl-3-propan-2-yloxydecane (PubChem CID 177309833) has the molecular formula C14H28Cl2O and a molecular weight of 283.28 g/mol. Its IUPAC name is 1,1-dichloro-3-methyl-3-propan-2-yloxydecane.

Molecular Properties

Compound Name1,1-dichloro-3-methyl-3-propan-2-yloxydecane
PubChem CID177309833
Molecular FormulaC14H28Cl2O
Molecular Weight283.28 g/mol
Exact Mass282.15
IUPAC Name1,1-dichloro-3-methyl-3-propan-2-yloxydecane
SMILESCCCCCCCC(C)(CC(Cl)Cl)OC(C)C
InChIInChI=1S/C14H28Cl2O/c1-5-6-7-8-9-10-14(4,11-13(15)16)17-12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyMUOOLIRVXHOLSS-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.28
LogP ≤ 55.72
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 1,1-dichloro-3-methyl-3-propan-2-yloxydecane 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 1,1-dichloro-3-methyl-3-propan-2-yloxydecane?
The IUPAC name of 1,1-dichloro-3-methyl-3-propan-2-yloxydecane (CID 177309833) is 1,1-dichloro-3-methyl-3-propan-2-yloxydecane.
What is the SMILES notation for 1,1-dichloro-3-methyl-3-propan-2-yloxydecane?
The canonical SMILES for 1,1-dichloro-3-methyl-3-propan-2-yloxydecane is CCCCCCCC(C)(CC(Cl)Cl)OC(C)C.
What is the InChIKey of 1,1-dichloro-3-methyl-3-propan-2-yloxydecane?
The InChIKey is MUOOLIRVXHOLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28Cl2O/c1-5-6-7-8-9-10-14(4,11-13(15)16)17-12(2)3/h12-13H,5-11H2,1-4H3.
What are the key properties of 1,1-dichloro-3-methyl-3-propan-2-yloxydecane?
1,1-dichloro-3-methyl-3-propan-2-yloxydecane has a molecular weight of 283.28 g/mol, XLogP of 5.72, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-3-methyl-3-propan-2-yloxydecane is sourced from PubChem (CID 177309833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).