(2S)-1-chloro-2-(2-chloroethoxy)decane

C12H24Cl2O — CID 98152177

IUPAC(2S)-1-chloro-2-(2-chloroethoxy)decane
SMILESCCCCCCCC[C@@H](CCl)OCCCl
InChIInChI=1S/C12H24Cl2O/c1-2-3-4-5-6-7-8-12(11-14)15-10-9-13/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyQZODSXJLOZAQTI-LBPRGKRZSA-N
MW255.23 g/mol
LogP4.60
Rot. Bonds11

About (2S)-1-chloro-2-(2-chloroethoxy)decane

(2S)-1-chloro-2-(2-chloroethoxy)decane (PubChem CID 98152177) has the molecular formula C12H24Cl2O and a molecular weight of 255.23 g/mol. Its IUPAC name is (2S)-1-chloro-2-(2-chloroethoxy)decane.

Molecular Properties

Compound Name(2S)-1-chloro-2-(2-chloroethoxy)decane
PubChem CID98152177
Molecular FormulaC12H24Cl2O
Molecular Weight255.23 g/mol
Exact Mass254.12
IUPAC Name(2S)-1-chloro-2-(2-chloroethoxy)decane
SMILESCCCCCCCC[C@@H](CCl)OCCCl
InChIInChI=1S/C12H24Cl2O/c1-2-3-4-5-6-7-8-12(11-14)15-10-9-13/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyQZODSXJLOZAQTI-LBPRGKRZSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 54.60
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-chloro-2-(2-chloroethoxy)decane?
The IUPAC name of (2S)-1-chloro-2-(2-chloroethoxy)decane (CID 98152177) is (2S)-1-chloro-2-(2-chloroethoxy)decane.
What is the SMILES notation for (2S)-1-chloro-2-(2-chloroethoxy)decane?
The canonical SMILES for (2S)-1-chloro-2-(2-chloroethoxy)decane is CCCCCCCC[C@@H](CCl)OCCCl.
What is the InChIKey of (2S)-1-chloro-2-(2-chloroethoxy)decane?
The InChIKey is QZODSXJLOZAQTI-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24Cl2O/c1-2-3-4-5-6-7-8-12(11-14)15-10-9-13/h12H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1-chloro-2-(2-chloroethoxy)decane?
(2S)-1-chloro-2-(2-chloroethoxy)decane has a molecular weight of 255.23 g/mol, XLogP of 4.60, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-chloro-2-(2-chloroethoxy)decane is sourced from PubChem (CID 98152177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).