(Z)-[2-(1,3-dioxan-2-yl)cyclopenta-2,4-dien-1-ylidene]methanolate

C10H11O3- — CID 138970552

IUPAC(Z)-[2-(1,3-dioxan-2-yl)cyclopenta-2,4-dien-1-ylidene]methanolate
SMILES[O-]/C=C1/C=CC=C1C1OCCCO1
InChIInChI=1S/C10H12O3/c11-7-8-3-1-4-9(8)10-12-5-2-6-13-10/h1,3-4,7,10-11H,2,5-6H2/p-1/b8-7-
InChIKeyVZWWFKQVWLGUFH-FPLPWBNLSA-M
MW179.20 g/mol
LogP0.49
Rot. Bonds1

About (Z)-[2-(1,3-dioxan-2-yl)cyclopenta-2,4-dien-1-ylidene]methanolate

(Z)-[2-(1,3-dioxan-2-yl)cyclopenta-2,4-dien-1-ylidene]methanolate (PubChem CID 138970552) has the molecular formula C10H11O3- and a molecular weight of 179.20 g/mol. Its IUPAC name is (Z)-[2-(1,3-dioxan-2-yl)cyclopenta-2,4-dien-1-ylidene]methanolate.

Molecular Properties

Compound Name(Z)-[2-(1,3-dioxan-2-yl)cyclopenta-2,4-dien-1-ylidene]methanolate
PubChem CID138970552
Molecular FormulaC10H11O3-
Molecular Weight179.20 g/mol
Exact Mass179.07
IUPAC Name(Z)-[2-(1,3-dioxan-2-yl)cyclopenta-2,4-dien-1-ylidene]methanolate
SMILES[O-]/C=C1/C=CC=C1C1OCCCO1
InChIInChI=1S/C10H12O3/c11-7-8-3-1-4-9(8)10-12-5-2-6-13-10/h1,3-4,7,10-11H,2,5-6H2/p-1/b8-7-
InChIKeyVZWWFKQVWLGUFH-FPLPWBNLSA-M
XLogP0.49
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-[2-(1,3-dioxan-2-yl)cyclopenta-2,4-dien-1-ylidene]methanolate?
The IUPAC name of (Z)-[2-(1,3-dioxan-2-yl)cyclopenta-2,4-dien-1-ylidene]methanolate (CID 138970552) is (Z)-[2-(1,3-dioxan-2-yl)cyclopenta-2,4-dien-1-ylidene]methanolate.
What is the SMILES notation for (Z)-[2-(1,3-dioxan-2-yl)cyclopenta-2,4-dien-1-ylidene]methanolate?
The canonical SMILES for (Z)-[2-(1,3-dioxan-2-yl)cyclopenta-2,4-dien-1-ylidene]methanolate is [O-]/C=C1/C=CC=C1C1OCCCO1.
What is the InChIKey of (Z)-[2-(1,3-dioxan-2-yl)cyclopenta-2,4-dien-1-ylidene]methanolate?
The InChIKey is VZWWFKQVWLGUFH-FPLPWBNLSA-M. The full InChI is InChI=1S/C10H12O3/c11-7-8-3-1-4-9(8)10-12-5-2-6-13-10/h1,3-4,7,10-11H,2,5-6H2/p-1/b8-7-.
What are the key properties of (Z)-[2-(1,3-dioxan-2-yl)cyclopenta-2,4-dien-1-ylidene]methanolate?
(Z)-[2-(1,3-dioxan-2-yl)cyclopenta-2,4-dien-1-ylidene]methanolate has a molecular weight of 179.20 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[2-(1,3-dioxan-2-yl)cyclopenta-2,4-dien-1-ylidene]methanolate is sourced from PubChem (CID 138970552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).