3,8-dimethyldec-7-enyl dihydrogen phosphate

C12H25O4P — CID 680

IUPAC3,8-dimethyldec-7-enyl dihydrogen phosphate
SMILESCCC(C)=CCCCC(C)CCOP(=O)(O)O
InChIInChI=1S/C12H25O4P/c1-4-11(2)7-5-6-8-12(3)9-10-16-17(13,14)15/h7,12H,4-6,8-10H2,1-3H3,(H2,13,14,15)
InChIKeyCWKHQISAQICLMY-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.65
Rot. Bonds9

About 3,8-dimethyldec-7-enyl dihydrogen phosphate

3,8-dimethyldec-7-enyl dihydrogen phosphate (PubChem CID 680) has the molecular formula C12H25O4P and a molecular weight of 264.30 g/mol. Its IUPAC name is 3,8-dimethyldec-7-enyl dihydrogen phosphate.

Molecular Properties

Compound Name3,8-dimethyldec-7-enyl dihydrogen phosphate
PubChem CID680
Molecular FormulaC12H25O4P
Molecular Weight264.30 g/mol
Exact Mass264.15
IUPAC Name3,8-dimethyldec-7-enyl dihydrogen phosphate
SMILESCCC(C)=CCCCC(C)CCOP(=O)(O)O
InChIInChI=1S/C12H25O4P/c1-4-11(2)7-5-6-8-12(3)9-10-16-17(13,14)15/h7,12H,4-6,8-10H2,1-3H3,(H2,13,14,15)
InChIKeyCWKHQISAQICLMY-UHFFFAOYSA-N
XLogP3.65
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,8-dimethyldec-7-enyl dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyldec-7-enyl dihydrogen phosphate?
The IUPAC name of 3,8-dimethyldec-7-enyl dihydrogen phosphate (CID 680) is 3,8-dimethyldec-7-enyl dihydrogen phosphate.
What is the SMILES notation for 3,8-dimethyldec-7-enyl dihydrogen phosphate?
The canonical SMILES for 3,8-dimethyldec-7-enyl dihydrogen phosphate is CCC(C)=CCCCC(C)CCOP(=O)(O)O.
What is the InChIKey of 3,8-dimethyldec-7-enyl dihydrogen phosphate?
The InChIKey is CWKHQISAQICLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O4P/c1-4-11(2)7-5-6-8-12(3)9-10-16-17(13,14)15/h7,12H,4-6,8-10H2,1-3H3,(H2,13,14,15).
What are the key properties of 3,8-dimethyldec-7-enyl dihydrogen phosphate?
3,8-dimethyldec-7-enyl dihydrogen phosphate has a molecular weight of 264.30 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyldec-7-enyl dihydrogen phosphate is sourced from PubChem (CID 680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).