(Z)-(3-ethylcyclopenta-2,4-dien-1-ylidene)methanolate

C8H9O- — CID 135020062

IUPAC(Z)-(3-ethylcyclopenta-2,4-dien-1-ylidene)methanolate
SMILESCCC1=C/C(=C\[O-])C=C1
InChIInChI=1S/C8H10O/c1-2-7-3-4-8(5-7)6-9/h3-6,9H,2H2,1H3/p-1/b8-6-
InChIKeySBEZHMHSNDIIJH-VURMDHGXSA-M
MW121.16 g/mol
LogP1.14
Rot. Bonds1

About (Z)-(3-ethylcyclopenta-2,4-dien-1-ylidene)methanolate

(Z)-(3-ethylcyclopenta-2,4-dien-1-ylidene)methanolate (PubChem CID 135020062) has the molecular formula C8H9O- and a molecular weight of 121.16 g/mol. Its IUPAC name is (Z)-(3-ethylcyclopenta-2,4-dien-1-ylidene)methanolate.

Molecular Properties

Compound Name(Z)-(3-ethylcyclopenta-2,4-dien-1-ylidene)methanolate
PubChem CID135020062
Molecular FormulaC8H9O-
Molecular Weight121.16 g/mol
Exact Mass121.07
IUPAC Name(Z)-(3-ethylcyclopenta-2,4-dien-1-ylidene)methanolate
SMILESCCC1=C/C(=C\[O-])C=C1
InChIInChI=1S/C8H10O/c1-2-7-3-4-8(5-7)6-9/h3-6,9H,2H2,1H3/p-1/b8-6-
InChIKeySBEZHMHSNDIIJH-VURMDHGXSA-M
XLogP1.14
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (Z)-(3-ethylcyclopenta-2,4-dien-1-ylidene)methanolate?
The IUPAC name of (Z)-(3-ethylcyclopenta-2,4-dien-1-ylidene)methanolate (CID 135020062) is (Z)-(3-ethylcyclopenta-2,4-dien-1-ylidene)methanolate.
What is the SMILES notation for (Z)-(3-ethylcyclopenta-2,4-dien-1-ylidene)methanolate?
The canonical SMILES for (Z)-(3-ethylcyclopenta-2,4-dien-1-ylidene)methanolate is CCC1=C/C(=C\[O-])C=C1.
What is the InChIKey of (Z)-(3-ethylcyclopenta-2,4-dien-1-ylidene)methanolate?
The InChIKey is SBEZHMHSNDIIJH-VURMDHGXSA-M. The full InChI is InChI=1S/C8H10O/c1-2-7-3-4-8(5-7)6-9/h3-6,9H,2H2,1H3/p-1/b8-6-.
What are the key properties of (Z)-(3-ethylcyclopenta-2,4-dien-1-ylidene)methanolate?
(Z)-(3-ethylcyclopenta-2,4-dien-1-ylidene)methanolate has a molecular weight of 121.16 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(3-ethylcyclopenta-2,4-dien-1-ylidene)methanolate is sourced from PubChem (CID 135020062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).