decyl dihydrogen phosphate;2-methylprop-1-ene

C14H31O4P — CID 157434751

IUPACdecyl dihydrogen phosphate;2-methylprop-1-ene
SMILESC=C(C)C.CCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C10H23O4P.C4H8/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;1-4(2)3/h2-10H2,1H3,(H2,11,12,13);1H2,2-3H3
InChIKeyBQYVDLKCWMDYAH-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.82
Rot. Bonds10

About decyl dihydrogen phosphate;2-methylprop-1-ene

decyl dihydrogen phosphate;2-methylprop-1-ene (PubChem CID 157434751) has the molecular formula C14H31O4P and a molecular weight of 294.37 g/mol. Its IUPAC name is decyl dihydrogen phosphate;2-methylprop-1-ene.

Molecular Properties

Compound Namedecyl dihydrogen phosphate;2-methylprop-1-ene
PubChem CID157434751
Molecular FormulaC14H31O4P
Molecular Weight294.37 g/mol
Exact Mass294.20
IUPAC Namedecyl dihydrogen phosphate;2-methylprop-1-ene
SMILESC=C(C)C.CCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C10H23O4P.C4H8/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;1-4(2)3/h2-10H2,1H3,(H2,11,12,13);1H2,2-3H3
InChIKeyBQYVDLKCWMDYAH-UHFFFAOYSA-N
XLogP4.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.82
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'}

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Frequently Asked Questions

What is the IUPAC name of decyl dihydrogen phosphate;2-methylprop-1-ene?
The IUPAC name of decyl dihydrogen phosphate;2-methylprop-1-ene (CID 157434751) is decyl dihydrogen phosphate;2-methylprop-1-ene.
What is the SMILES notation for decyl dihydrogen phosphate;2-methylprop-1-ene?
The canonical SMILES for decyl dihydrogen phosphate;2-methylprop-1-ene is C=C(C)C.CCCCCCCCCCOP(=O)(O)O.
What is the InChIKey of decyl dihydrogen phosphate;2-methylprop-1-ene?
The InChIKey is BQYVDLKCWMDYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O4P.C4H8/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;1-4(2)3/h2-10H2,1H3,(H2,11,12,13);1H2,2-3H3.
What are the key properties of decyl dihydrogen phosphate;2-methylprop-1-ene?
decyl dihydrogen phosphate;2-methylprop-1-ene has a molecular weight of 294.37 g/mol, XLogP of 4.82, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl dihydrogen phosphate;2-methylprop-1-ene is sourced from PubChem (CID 157434751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).