[(E)-tetradec-1-enyl] dihydrogen phosphate

C14H29O4P — CID 19881890

IUPAC[(E)-tetradec-1-enyl] dihydrogen phosphate
SMILESCCCCCCCCCCCC/C=C/OP(=O)(O)O
InChIInChI=1S/C14H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h13-14H,2-12H2,1H3,(H2,15,16,17)/b14-13+
InChIKeyGSZOKLSCMQVVPB-BUHFOSPRSA-N
MW292.36 g/mol
LogP4.92
Rot. Bonds13

About [(E)-tetradec-1-enyl] dihydrogen phosphate

[(E)-tetradec-1-enyl] dihydrogen phosphate (PubChem CID 19881890) has the molecular formula C14H29O4P and a molecular weight of 292.36 g/mol. Its IUPAC name is [(E)-tetradec-1-enyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(E)-tetradec-1-enyl] dihydrogen phosphate
PubChem CID19881890
Molecular FormulaC14H29O4P
Molecular Weight292.36 g/mol
Exact Mass292.18
IUPAC Name[(E)-tetradec-1-enyl] dihydrogen phosphate
SMILESCCCCCCCCCCCC/C=C/OP(=O)(O)O
InChIInChI=1S/C14H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h13-14H,2-12H2,1H3,(H2,15,16,17)/b14-13+
InChIKeyGSZOKLSCMQVVPB-BUHFOSPRSA-N
XLogP4.92
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.92
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'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-tetradec-1-enyl] dihydrogen phosphate?
The IUPAC name of [(E)-tetradec-1-enyl] dihydrogen phosphate (CID 19881890) is [(E)-tetradec-1-enyl] dihydrogen phosphate.
What is the SMILES notation for [(E)-tetradec-1-enyl] dihydrogen phosphate?
The canonical SMILES for [(E)-tetradec-1-enyl] dihydrogen phosphate is CCCCCCCCCCCC/C=C/OP(=O)(O)O.
What is the InChIKey of [(E)-tetradec-1-enyl] dihydrogen phosphate?
The InChIKey is GSZOKLSCMQVVPB-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h13-14H,2-12H2,1H3,(H2,15,16,17)/b14-13+.
What are the key properties of [(E)-tetradec-1-enyl] dihydrogen phosphate?
[(E)-tetradec-1-enyl] dihydrogen phosphate has a molecular weight of 292.36 g/mol, XLogP of 4.92, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-tetradec-1-enyl] dihydrogen phosphate is sourced from PubChem (CID 19881890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).