4-methyldeca-3,5-dien-5-yl dihydrogen phosphate

C11H21O4P — CID 88803258

IUPAC4-methyldeca-3,5-dien-5-yl dihydrogen phosphate
SMILESCCC=C(C)C(=CCCCC)OP(=O)(O)O
InChIInChI=1S/C11H21O4P/c1-4-6-7-9-11(10(3)8-5-2)15-16(12,13)14/h8-9H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyHKNWBBVYDJQYFT-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.53
Rot. Bonds7

About 4-methyldeca-3,5-dien-5-yl dihydrogen phosphate

4-methyldeca-3,5-dien-5-yl dihydrogen phosphate (PubChem CID 88803258) has the molecular formula C11H21O4P and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-methyldeca-3,5-dien-5-yl dihydrogen phosphate.

Molecular Properties

Compound Name4-methyldeca-3,5-dien-5-yl dihydrogen phosphate
PubChem CID88803258
Molecular FormulaC11H21O4P
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name4-methyldeca-3,5-dien-5-yl dihydrogen phosphate
SMILESCCC=C(C)C(=CCCCC)OP(=O)(O)O
InChIInChI=1S/C11H21O4P/c1-4-6-7-9-11(10(3)8-5-2)15-16(12,13)14/h8-9H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyHKNWBBVYDJQYFT-UHFFFAOYSA-N
XLogP3.53
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyldeca-3,5-dien-5-yl dihydrogen phosphate?
The IUPAC name of 4-methyldeca-3,5-dien-5-yl dihydrogen phosphate (CID 88803258) is 4-methyldeca-3,5-dien-5-yl dihydrogen phosphate.
What is the SMILES notation for 4-methyldeca-3,5-dien-5-yl dihydrogen phosphate?
The canonical SMILES for 4-methyldeca-3,5-dien-5-yl dihydrogen phosphate is CCC=C(C)C(=CCCCC)OP(=O)(O)O.
What is the InChIKey of 4-methyldeca-3,5-dien-5-yl dihydrogen phosphate?
The InChIKey is HKNWBBVYDJQYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O4P/c1-4-6-7-9-11(10(3)8-5-2)15-16(12,13)14/h8-9H,4-7H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-methyldeca-3,5-dien-5-yl dihydrogen phosphate?
4-methyldeca-3,5-dien-5-yl dihydrogen phosphate has a molecular weight of 248.26 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyldeca-3,5-dien-5-yl dihydrogen phosphate is sourced from PubChem (CID 88803258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).