[(2Z)-cyclododec-2-en-1-yl] dihydrogen phosphate

C12H23O4P — CID 118952336

IUPAC[(2Z)-cyclododec-2-en-1-yl] dihydrogen phosphate
SMILESO=P(O)(O)OC1/C=C\CCCCCCCCC1
InChIInChI=1S/C12H23O4P/c13-17(14,15)16-12-10-8-6-4-2-1-3-5-7-9-11-12/h8,10,12H,1-7,9,11H2,(H2,13,14,15)/b10-8-
InChIKeyDNMQWDIQHMZGDA-NTMALXAHSA-N
MW262.29 g/mol
LogP3.55
Rot. Bonds2

About [(2Z)-cyclododec-2-en-1-yl] dihydrogen phosphate

[(2Z)-cyclododec-2-en-1-yl] dihydrogen phosphate (PubChem CID 118952336) has the molecular formula C12H23O4P and a molecular weight of 262.29 g/mol. Its IUPAC name is [(2Z)-cyclododec-2-en-1-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2Z)-cyclododec-2-en-1-yl] dihydrogen phosphate
PubChem CID118952336
Molecular FormulaC12H23O4P
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name[(2Z)-cyclododec-2-en-1-yl] dihydrogen phosphate
SMILESO=P(O)(O)OC1/C=C\CCCCCCCCC1
InChIInChI=1S/C12H23O4P/c13-17(14,15)16-12-10-8-6-4-2-1-3-5-7-9-11-12/h8,10,12H,1-7,9,11H2,(H2,13,14,15)/b10-8-
InChIKeyDNMQWDIQHMZGDA-NTMALXAHSA-N
XLogP3.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 [(2Z)-cyclododec-2-en-1-yl] dihydrogen phosphate?
The IUPAC name of [(2Z)-cyclododec-2-en-1-yl] dihydrogen phosphate (CID 118952336) is [(2Z)-cyclododec-2-en-1-yl] dihydrogen phosphate.
What is the SMILES notation for [(2Z)-cyclododec-2-en-1-yl] dihydrogen phosphate?
The canonical SMILES for [(2Z)-cyclododec-2-en-1-yl] dihydrogen phosphate is O=P(O)(O)OC1/C=C\CCCCCCCCC1.
What is the InChIKey of [(2Z)-cyclododec-2-en-1-yl] dihydrogen phosphate?
The InChIKey is DNMQWDIQHMZGDA-NTMALXAHSA-N. The full InChI is InChI=1S/C12H23O4P/c13-17(14,15)16-12-10-8-6-4-2-1-3-5-7-9-11-12/h8,10,12H,1-7,9,11H2,(H2,13,14,15)/b10-8-.
What are the key properties of [(2Z)-cyclododec-2-en-1-yl] dihydrogen phosphate?
[(2Z)-cyclododec-2-en-1-yl] dihydrogen phosphate has a molecular weight of 262.29 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-cyclododec-2-en-1-yl] dihydrogen phosphate is sourced from PubChem (CID 118952336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).