1-dimethylphosphoryldodecane

C14H31OP — CID 13380

IUPAC1-dimethylphosphoryldodecane
SMILESCCCCCCCCCCCCP(C)(C)=O
InChIInChI=1S/C14H31OP/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-14H2,1-3H3
InChIKeySIDULKZCBGMXJL-UHFFFAOYSA-N
MW246.37 g/mol
LogP5.53
Rot. Bonds11

About 1-dimethylphosphoryldodecane

1-dimethylphosphoryldodecane (PubChem CID 13380) has the molecular formula C14H31OP and a molecular weight of 246.37 g/mol. Its IUPAC name is 1-dimethylphosphoryldodecane.

Molecular Properties

Compound Name1-dimethylphosphoryldodecane
PubChem CID13380
Molecular FormulaC14H31OP
Molecular Weight246.37 g/mol
Exact Mass246.21
IUPAC Name1-dimethylphosphoryldodecane
SMILESCCCCCCCCCCCCP(C)(C)=O
InChIInChI=1S/C14H31OP/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-14H2,1-3H3
InChIKeySIDULKZCBGMXJL-UHFFFAOYSA-N
XLogP5.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.37
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphoryldodecane?
The IUPAC name of 1-dimethylphosphoryldodecane (CID 13380) is 1-dimethylphosphoryldodecane.
What is the SMILES notation for 1-dimethylphosphoryldodecane?
The canonical SMILES for 1-dimethylphosphoryldodecane is CCCCCCCCCCCCP(C)(C)=O.
What is the InChIKey of 1-dimethylphosphoryldodecane?
The InChIKey is SIDULKZCBGMXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31OP/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-14H2,1-3H3.
What are the key properties of 1-dimethylphosphoryldodecane?
1-dimethylphosphoryldodecane has a molecular weight of 246.37 g/mol, XLogP of 5.53, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryldodecane is sourced from PubChem (CID 13380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).