(5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate

C10H23O4P — CID 87908997

IUPAC(5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate
SMILESCC(C)C(CCCOP(=O)(O)O)C(C)C
InChIInChI=1S/C10H23O4P/c1-8(2)10(9(3)4)6-5-7-14-15(11,12)13/h8-10H,5-7H2,1-4H3,(H2,11,12,13)
InChIKeySEUVYPXDMCNGPE-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.80
Rot. Bonds7

About (5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate

(5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate (PubChem CID 87908997) has the molecular formula C10H23O4P and a molecular weight of 238.26 g/mol. Its IUPAC name is (5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate.

Molecular Properties

Compound Name(5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate
PubChem CID87908997
Molecular FormulaC10H23O4P
Molecular Weight238.26 g/mol
Exact Mass238.13
IUPAC Name(5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate
SMILESCC(C)C(CCCOP(=O)(O)O)C(C)C
InChIInChI=1S/C10H23O4P/c1-8(2)10(9(3)4)6-5-7-14-15(11,12)13/h8-10H,5-7H2,1-4H3,(H2,11,12,13)
InChIKeySEUVYPXDMCNGPE-UHFFFAOYSA-N
XLogP2.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5-methyl-4-propan-2-ylhexyl) 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

5-aminohexyl dihydrogen phosphate
CID 18767611
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
azanium 3-methylbutyl dihydrogen phosphate
CID 21149534
7-methyldecyl dihydrogen phosphate
CID 19881894
azane;butyl dihydrogen phosphate
CID 173333807
sodium;hydride;7-methyldecyl dihydrogen phosphate
CID 173332975
25-chloropentacosyl dihydrogen phosphate
CID 87683690
octatriacontyl dihydrogen phosphate
CID 140979287
13-chlorotridecyl dihydrogen phosphate
CID 87684789
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
34-sulfanyltetratriacontyl dihydrogen phosphate
CID 87681272

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate?
The IUPAC name of (5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate (CID 87908997) is (5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate.
What is the SMILES notation for (5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate?
The canonical SMILES for (5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate is CC(C)C(CCCOP(=O)(O)O)C(C)C.
What is the InChIKey of (5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate?
The InChIKey is SEUVYPXDMCNGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O4P/c1-8(2)10(9(3)4)6-5-7-14-15(11,12)13/h8-10H,5-7H2,1-4H3,(H2,11,12,13).
What are the key properties of (5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate?
(5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate has a molecular weight of 238.26 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate is sourced from PubChem (CID 87908997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).