7-methyldecyl dihydrogen phosphate

C11H25O4P — CID 19881894

IUPAC7-methyldecyl dihydrogen phosphate
SMILESCCCC(C)CCCCCCOP(=O)(O)O
InChIInChI=1S/C11H25O4P/c1-3-8-11(2)9-6-4-5-7-10-15-16(12,13)14/h11H,3-10H2,1-2H3,(H2,12,13,14)
InChIKeyIHTIABNHKDERRL-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.48
Rot. Bonds10

About 7-methyldecyl dihydrogen phosphate

7-methyldecyl dihydrogen phosphate (PubChem CID 19881894) has the molecular formula C11H25O4P and a molecular weight of 252.29 g/mol. Its IUPAC name is 7-methyldecyl dihydrogen phosphate.

Molecular Properties

Compound Name7-methyldecyl dihydrogen phosphate
PubChem CID19881894
Molecular FormulaC11H25O4P
Molecular Weight252.29 g/mol
Exact Mass252.15
IUPAC Name7-methyldecyl dihydrogen phosphate
SMILESCCCC(C)CCCCCCOP(=O)(O)O
InChIInChI=1S/C11H25O4P/c1-3-8-11(2)9-6-4-5-7-10-15-16(12,13)14/h11H,3-10H2,1-2H3,(H2,12,13,14)
InChIKeyIHTIABNHKDERRL-UHFFFAOYSA-N
XLogP3.48
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.48
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'}

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Related Compounds

sodium;hydride;7-methyldecyl dihydrogen phosphate
CID 173332975
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976
dodecyl dihydrogen phosphate;indigane
CID 173026750
azane;octadecyl dihydrogen phosphate
CID 87905459
CID 170842594
CID 170842594
CID 170843971
CID 170843971
alumane;tridecyl dihydrogen phosphate
CID 173322009

Frequently Asked Questions

What is the IUPAC name of 7-methyldecyl dihydrogen phosphate?
The IUPAC name of 7-methyldecyl dihydrogen phosphate (CID 19881894) is 7-methyldecyl dihydrogen phosphate.
What is the SMILES notation for 7-methyldecyl dihydrogen phosphate?
The canonical SMILES for 7-methyldecyl dihydrogen phosphate is CCCC(C)CCCCCCOP(=O)(O)O.
What is the InChIKey of 7-methyldecyl dihydrogen phosphate?
The InChIKey is IHTIABNHKDERRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O4P/c1-3-8-11(2)9-6-4-5-7-10-15-16(12,13)14/h11H,3-10H2,1-2H3,(H2,12,13,14).
What are the key properties of 7-methyldecyl dihydrogen phosphate?
7-methyldecyl dihydrogen phosphate has a molecular weight of 252.29 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyldecyl dihydrogen phosphate is sourced from PubChem (CID 19881894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).