1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate

C10H13O- — CID 12725581

IUPAC1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate
SMILESCC(C)(C)C([O-])=C1C=CC=C1
InChIInChI=1S/C10H14O/c1-10(2,3)9(11)8-6-4-5-7-8/h4-7,11H,1-3H3/p-1
InChIKeyFLDHQQLSODKICR-UHFFFAOYSA-M
MW149.21 g/mol
LogP1.77
Rot. Bonds

About 1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate

1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate (PubChem CID 12725581) has the molecular formula C10H13O- and a molecular weight of 149.21 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate
PubChem CID12725581
Molecular FormulaC10H13O-
Molecular Weight149.21 g/mol
Exact Mass149.10
IUPAC Name1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate
SMILESCC(C)(C)C([O-])=C1C=CC=C1
InChIInChI=1S/C10H14O/c1-10(2,3)9(11)8-6-4-5-7-8/h4-7,11H,1-3H3/p-1
InChIKeyFLDHQQLSODKICR-UHFFFAOYSA-M
XLogP1.77
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[amino(tert-butyl)amino]-cyclopenta-2,4-dien-1-ylidenemethanolate
CID 3764166
tetrakis(cyclopenta-2,4-dien-1-ylidenemethanediolate);hafnium(4+);bis(iron(2+))
CID 178076225
bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron
CID 171395328
bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+)
CID 158604090
carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese
CID 12618807
bis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+)
CID 157072709
5-(difluoromethylidene)cyclopenta-1,3-diene
CID 13428390
[tert-butyl-[(4-chlorobenzoyl)amino]amino]-cyclopenta-2,4-dien-1-ylidenemethanolate
CID 3764164
2-cyclopenta-2,4-dien-1-ylidenepropan-1-ol
CID 12575364
5-butan-2-ylidenecyclopenta-1,3-diene
CID 162397478
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)
CID 175693136
(2,2-dimethylpropanoate);docosakis(iron(3+));dodecakis(oxygen(2-));dodecahydroxide
CID 139166121

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate (CID 12725581) is 1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate is CC(C)(C)C([O-])=C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate?
The InChIKey is FLDHQQLSODKICR-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14O/c1-10(2,3)9(11)8-6-4-5-7-8/h4-7,11H,1-3H3/p-1.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate?
1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate has a molecular weight of 149.21 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylidene-2,2-dimethylpropan-1-olate is sourced from PubChem (CID 12725581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).