(2S)-1,2-dichlorododecane

C12H24Cl2 — CID 98052710

IUPAC(2S)-1,2-dichlorododecane
SMILESCCCCCCCCCC[C@H](Cl)CCl
InChIInChI=1S/C12H24Cl2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyHMBLILXCOAXXCR-LBPRGKRZSA-N
MW239.23 g/mol
LogP5.36
Rot. Bonds10

About (2S)-1,2-dichlorododecane

(2S)-1,2-dichlorododecane (PubChem CID 98052710) has the molecular formula C12H24Cl2 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2S)-1,2-dichlorododecane.

Molecular Properties

Compound Name(2S)-1,2-dichlorododecane
PubChem CID98052710
Molecular FormulaC12H24Cl2
Molecular Weight239.23 g/mol
Exact Mass238.13
IUPAC Name(2S)-1,2-dichlorododecane
SMILESCCCCCCCCCC[C@H](Cl)CCl
InChIInChI=1S/C12H24Cl2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyHMBLILXCOAXXCR-LBPRGKRZSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.23
LogP ≤ 55.36
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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Related Compounds

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CID 87852962
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CID 63459834
3-chlorohenicosane
CID 87067964
3-chlorohexadecane
CID 63459281
4-chlorotridecane
CID 63460920
azane;1,3-dichloropentadecane
CID 87123860
12-chlorooctacosane;N-methylmethanamine
CID 122611467
9-chlorohexacosane;N-methylmethanamine
CID 122613288
2-chlorooctadecan-1-ol
CID 14984660
1-chloro-2-(chloromethyl)undecane
CID 79448197
1-bromo-3-chloropentadecane
CID 122583656

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dichlorododecane?
The IUPAC name of (2S)-1,2-dichlorododecane (CID 98052710) is (2S)-1,2-dichlorododecane.
What is the SMILES notation for (2S)-1,2-dichlorododecane?
The canonical SMILES for (2S)-1,2-dichlorododecane is CCCCCCCCCC[C@H](Cl)CCl.
What is the InChIKey of (2S)-1,2-dichlorododecane?
The InChIKey is HMBLILXCOAXXCR-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24Cl2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1,2-dichlorododecane?
(2S)-1,2-dichlorododecane has a molecular weight of 239.23 g/mol, XLogP of 5.36, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dichlorododecane is sourced from PubChem (CID 98052710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).