2-chloro-1-dimethylphosphoryldecane

C12H26ClOP — CID 21323065

IUPAC2-chloro-1-dimethylphosphoryldecane
SMILESCCCCCCCCC(Cl)CP(C)(C)=O
InChIInChI=1S/C12H26ClOP/c1-4-5-6-7-8-9-10-12(13)11-15(2,3)14/h12H,4-11H2,1-3H3
InChIKeyMOGQZECHHCQPPH-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.97
Rot. Bonds9

About 2-chloro-1-dimethylphosphoryldecane

2-chloro-1-dimethylphosphoryldecane (PubChem CID 21323065) has the molecular formula C12H26ClOP and a molecular weight of 252.77 g/mol. Its IUPAC name is 2-chloro-1-dimethylphosphoryldecane.

Molecular Properties

Compound Name2-chloro-1-dimethylphosphoryldecane
PubChem CID21323065
Molecular FormulaC12H26ClOP
Molecular Weight252.77 g/mol
Exact Mass252.14
IUPAC Name2-chloro-1-dimethylphosphoryldecane
SMILESCCCCCCCCC(Cl)CP(C)(C)=O
InChIInChI=1S/C12H26ClOP/c1-4-5-6-7-8-9-10-12(13)11-15(2,3)14/h12H,4-11H2,1-3H3
InChIKeyMOGQZECHHCQPPH-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 54.97
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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3-chlorohenicosane
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4-chloropentadecane
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4-chlorotridecane
CID 63460920
12-chlorooctacosane;N-methylmethanamine
CID 122611467
9-chlorohexacosane;N-methylmethanamine
CID 122613288
(2S)-1,2-dichlorododecane
CID 98052710
2-chlorooctadecan-1-ol
CID 14984660
5-chlorononane;phosphoric acid
CID 88768187
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CID 135065727

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-dimethylphosphoryldecane?
The IUPAC name of 2-chloro-1-dimethylphosphoryldecane (CID 21323065) is 2-chloro-1-dimethylphosphoryldecane.
What is the SMILES notation for 2-chloro-1-dimethylphosphoryldecane?
The canonical SMILES for 2-chloro-1-dimethylphosphoryldecane is CCCCCCCCC(Cl)CP(C)(C)=O.
What is the InChIKey of 2-chloro-1-dimethylphosphoryldecane?
The InChIKey is MOGQZECHHCQPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClOP/c1-4-5-6-7-8-9-10-12(13)11-15(2,3)14/h12H,4-11H2,1-3H3.
What are the key properties of 2-chloro-1-dimethylphosphoryldecane?
2-chloro-1-dimethylphosphoryldecane has a molecular weight of 252.77 g/mol, XLogP of 4.97, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-dimethylphosphoryldecane is sourced from PubChem (CID 21323065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).