1,1-dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane

C17H34Cl2O — CID 19974785

IUPAC1,1-dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane
SMILESCC(C)(C)COC(CCCCCCC(Cl)Cl)C(C)(C)C
InChIInChI=1S/C17H34Cl2O/c1-16(2,3)13-20-14(17(4,5)6)11-9-7-8-10-12-15(18)19/h14-15H,7-13H2,1-6H3
InChIKeyRXKKOLUCDFHMKE-UHFFFAOYSA-N
MW325.36 g/mol
LogP6.61
Rot. Bonds9

About 1,1-dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane

1,1-dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane (PubChem CID 19974785) has the molecular formula C17H34Cl2O and a molecular weight of 325.36 g/mol. Its IUPAC name is 1,1-dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane.

Molecular Properties

Compound Name1,1-dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane
PubChem CID19974785
Molecular FormulaC17H34Cl2O
Molecular Weight325.36 g/mol
Exact Mass324.20
IUPAC Name1,1-dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane
SMILESCC(C)(C)COC(CCCCCCC(Cl)Cl)C(C)(C)C
InChIInChI=1S/C17H34Cl2O/c1-16(2,3)13-20-14(17(4,5)6)11-9-7-8-10-12-15(18)19/h14-15H,7-13H2,1-6H3
InChIKeyRXKKOLUCDFHMKE-UHFFFAOYSA-N
XLogP6.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.36
LogP ≤ 56.61
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane?
The IUPAC name of 1,1-dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane (CID 19974785) is 1,1-dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane.
What is the SMILES notation for 1,1-dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane?
The canonical SMILES for 1,1-dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane is CC(C)(C)COC(CCCCCCC(Cl)Cl)C(C)(C)C.
What is the InChIKey of 1,1-dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane?
The InChIKey is RXKKOLUCDFHMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34Cl2O/c1-16(2,3)13-20-14(17(4,5)6)11-9-7-8-10-12-15(18)19/h14-15H,7-13H2,1-6H3.
What are the key properties of 1,1-dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane?
1,1-dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane has a molecular weight of 325.36 g/mol, XLogP of 6.61, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-8-(2,2-dimethylpropoxy)-9,9-dimethyldecane is sourced from PubChem (CID 19974785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).