4,7-dimethyldecan-5-yl dihydrogen phosphate

C12H27O4P — CID 87908960

IUPAC4,7-dimethyldecan-5-yl dihydrogen phosphate
SMILESCCCC(C)CC(OP(=O)(O)O)C(C)CCC
InChIInChI=1S/C12H27O4P/c1-5-7-10(3)9-12(11(4)8-6-2)16-17(13,14)15/h10-12H,5-9H2,1-4H3,(H2,13,14,15)
InChIKeyVCZLFEYUALWAAP-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.73
Rot. Bonds9

About 4,7-dimethyldecan-5-yl dihydrogen phosphate

4,7-dimethyldecan-5-yl dihydrogen phosphate (PubChem CID 87908960) has the molecular formula C12H27O4P and a molecular weight of 266.32 g/mol. Its IUPAC name is 4,7-dimethyldecan-5-yl dihydrogen phosphate.

Molecular Properties

Compound Name4,7-dimethyldecan-5-yl dihydrogen phosphate
PubChem CID87908960
Molecular FormulaC12H27O4P
Molecular Weight266.32 g/mol
Exact Mass266.16
IUPAC Name4,7-dimethyldecan-5-yl dihydrogen phosphate
SMILESCCCC(C)CC(OP(=O)(O)O)C(C)CCC
InChIInChI=1S/C12H27O4P/c1-5-7-10(3)9-12(11(4)8-6-2)16-17(13,14)15/h10-12H,5-9H2,1-4H3,(H2,13,14,15)
InChIKeyVCZLFEYUALWAAP-UHFFFAOYSA-N
XLogP3.73
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,7-dimethyldecan-5-yl 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

Related Compounds

6-methylnonan-4-yl dihydrogen phosphate
CID 152606222
heptan-4-yl dihydrogen phosphate
CID 18763997
5-propyloctan-2-yl dihydrogen phosphate
CID 87908969
4,5,7-trimethyldecane
CID 57490926
3,6-dimethylnonan-4-ol
CID 56626033
azane;6-butyldecan-5-yl dihydrogen phosphate
CID 88652298
7-methyldecyl dihydrogen phosphate
CID 19881894
3-(hydroxymethyl)octan-4-yl dihydrogen phosphate
CID 87707822
henicosan-4-yl dihydrogen phosphate
CID 175269897
4,6,8,10-tetramethyltridecan-7-one
CID 150096425
diheptan-4-yl hydrogen phosphate
CID 22497552
4-bromohexan-3-yl dihydrogen phosphate
CID 57126282

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyldecan-5-yl dihydrogen phosphate?
The IUPAC name of 4,7-dimethyldecan-5-yl dihydrogen phosphate (CID 87908960) is 4,7-dimethyldecan-5-yl dihydrogen phosphate.
What is the SMILES notation for 4,7-dimethyldecan-5-yl dihydrogen phosphate?
The canonical SMILES for 4,7-dimethyldecan-5-yl dihydrogen phosphate is CCCC(C)CC(OP(=O)(O)O)C(C)CCC.
What is the InChIKey of 4,7-dimethyldecan-5-yl dihydrogen phosphate?
The InChIKey is VCZLFEYUALWAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O4P/c1-5-7-10(3)9-12(11(4)8-6-2)16-17(13,14)15/h10-12H,5-9H2,1-4H3,(H2,13,14,15).
What are the key properties of 4,7-dimethyldecan-5-yl dihydrogen phosphate?
4,7-dimethyldecan-5-yl dihydrogen phosphate has a molecular weight of 266.32 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyldecan-5-yl dihydrogen phosphate is sourced from PubChem (CID 87908960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).