1-chloro-8,8-diethyldecane

C14H29Cl — CID 141051096

IUPAC1-chloro-8,8-diethyldecane
SMILESCCC(CC)(CC)CCCCCCCCl
InChIInChI=1S/C14H29Cl/c1-4-14(5-2,6-3)12-10-8-7-9-11-13-15/h4-13H2,1-3H3
InChIKeySCHGMHAUNVYYRV-UHFFFAOYSA-N
MW232.84 g/mol
LogP5.78
Rot. Bonds10

About 1-chloro-8,8-diethyldecane

1-chloro-8,8-diethyldecane (PubChem CID 141051096) has the molecular formula C14H29Cl and a molecular weight of 232.84 g/mol. Its IUPAC name is 1-chloro-8,8-diethyldecane.

Molecular Properties

Compound Name1-chloro-8,8-diethyldecane
PubChem CID141051096
Molecular FormulaC14H29Cl
Molecular Weight232.84 g/mol
Exact Mass232.20
IUPAC Name1-chloro-8,8-diethyldecane
SMILESCCC(CC)(CC)CCCCCCCCl
InChIInChI=1S/C14H29Cl/c1-4-14(5-2,6-3)12-10-8-7-9-11-13-15/h4-13H2,1-3H3
InChIKeySCHGMHAUNVYYRV-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.84
LogP ≤ 55.78
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-8,8-diethyldecane?
The IUPAC name of 1-chloro-8,8-diethyldecane (CID 141051096) is 1-chloro-8,8-diethyldecane.
What is the SMILES notation for 1-chloro-8,8-diethyldecane?
The canonical SMILES for 1-chloro-8,8-diethyldecane is CCC(CC)(CC)CCCCCCCCl.
What is the InChIKey of 1-chloro-8,8-diethyldecane?
The InChIKey is SCHGMHAUNVYYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29Cl/c1-4-14(5-2,6-3)12-10-8-7-9-11-13-15/h4-13H2,1-3H3.
What are the key properties of 1-chloro-8,8-diethyldecane?
1-chloro-8,8-diethyldecane has a molecular weight of 232.84 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8,8-diethyldecane is sourced from PubChem (CID 141051096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).