cyclopenta-2,4-dien-1-ylidene(propoxy)methanolate

C9H11O2- — CID 20753904

IUPACcyclopenta-2,4-dien-1-ylidene(propoxy)methanolate
SMILESCCCOC([O-])=C1C=CC=C1
InChIInChI=1S/C9H12O2/c1-2-7-11-9(10)8-5-3-4-6-8/h3-6,10H,2,7H2,1H3/p-1
InChIKeyUDOPPBHBGMVSJI-UHFFFAOYSA-M
MW151.19 g/mol
LogP1.11
Rot. Bonds3

About cyclopenta-2,4-dien-1-ylidene(propoxy)methanolate

cyclopenta-2,4-dien-1-ylidene(propoxy)methanolate (PubChem CID 20753904) has the molecular formula C9H11O2- and a molecular weight of 151.19 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidene(propoxy)methanolate.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidene(propoxy)methanolate
PubChem CID20753904
Molecular FormulaC9H11O2-
Molecular Weight151.19 g/mol
Exact Mass151.08
IUPAC Namecyclopenta-2,4-dien-1-ylidene(propoxy)methanolate
SMILESCCCOC([O-])=C1C=CC=C1
InChIInChI=1S/C9H12O2/c1-2-7-11-9(10)8-5-3-4-6-8/h3-6,10H,2,7H2,1H3/p-1
InChIKeyUDOPPBHBGMVSJI-UHFFFAOYSA-M
XLogP1.11
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylidene(propoxy)methanolate?
The IUPAC name of cyclopenta-2,4-dien-1-ylidene(propoxy)methanolate (CID 20753904) is cyclopenta-2,4-dien-1-ylidene(propoxy)methanolate.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidene(propoxy)methanolate?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidene(propoxy)methanolate is CCCOC([O-])=C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-ylidene(propoxy)methanolate?
The InChIKey is UDOPPBHBGMVSJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12O2/c1-2-7-11-9(10)8-5-3-4-6-8/h3-6,10H,2,7H2,1H3/p-1.
What are the key properties of cyclopenta-2,4-dien-1-ylidene(propoxy)methanolate?
cyclopenta-2,4-dien-1-ylidene(propoxy)methanolate has a molecular weight of 151.19 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylidene(propoxy)methanolate is sourced from PubChem (CID 20753904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).