cyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate

C9H15O4P — CID 140591862

IUPACcyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate
SMILESCCOP(=O)(OC)OCC1C=C=CC1
InChIInChI=1S/C9H15O4P/c1-3-12-14(10,11-2)13-8-9-6-4-5-7-9/h4,7,9H,3,6,8H2,1-2H3
InChIKeyMLKQNFLQFULDOX-UHFFFAOYSA-N
MW218.19 g/mol
LogP2.53
Rot. Bonds6

About cyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate

cyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate (PubChem CID 140591862) has the molecular formula C9H15O4P and a molecular weight of 218.19 g/mol. Its IUPAC name is cyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate.

Molecular Properties

Compound Namecyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate
PubChem CID140591862
Molecular FormulaC9H15O4P
Molecular Weight218.19 g/mol
Exact Mass218.07
IUPAC Namecyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate
SMILESCCOP(=O)(OC)OCC1C=C=CC1
InChIInChI=1S/C9H15O4P/c1-3-12-14(10,11-2)13-8-9-6-4-5-7-9/h4,7,9H,3,6,8H2,1-2H3
InChIKeyMLKQNFLQFULDOX-UHFFFAOYSA-N
XLogP2.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate?
The IUPAC name of cyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate (CID 140591862) is cyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate.
What is the SMILES notation for cyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate?
The canonical SMILES for cyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate is CCOP(=O)(OC)OCC1C=C=CC1.
What is the InChIKey of cyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate?
The InChIKey is MLKQNFLQFULDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O4P/c1-3-12-14(10,11-2)13-8-9-6-4-5-7-9/h4,7,9H,3,6,8H2,1-2H3.
What are the key properties of cyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate?
cyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate has a molecular weight of 218.19 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,3-dien-1-ylmethyl ethyl methyl phosphate is sourced from PubChem (CID 140591862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).