(5Z)-5-(2-methoxyethylidene)-4,4-dimethyl-1,3-dioxolan-2-one

C8H12O4 — CID 16724862

IUPAC(5Z)-5-(2-methoxyethylidene)-4,4-dimethyl-1,3-dioxolan-2-one
SMILESCOC/C=C1\OC(=O)OC1(C)C
InChIInChI=1S/C8H12O4/c1-8(2)6(4-5-10-3)11-7(9)12-8/h4H,5H2,1-3H3/b6-4-
InChIKeyWCPYGQMRKHDAOB-XQRVVYSFSA-N
MW172.18 g/mol
LogP1.46
Rot. Bonds2

About (5Z)-5-(2-methoxyethylidene)-4,4-dimethyl-1,3-dioxolan-2-one

(5Z)-5-(2-methoxyethylidene)-4,4-dimethyl-1,3-dioxolan-2-one (PubChem CID 16724862) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is (5Z)-5-(2-methoxyethylidene)-4,4-dimethyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(5Z)-5-(2-methoxyethylidene)-4,4-dimethyl-1,3-dioxolan-2-one
PubChem CID16724862
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name(5Z)-5-(2-methoxyethylidene)-4,4-dimethyl-1,3-dioxolan-2-one
SMILESCOC/C=C1\OC(=O)OC1(C)C
InChIInChI=1S/C8H12O4/c1-8(2)6(4-5-10-3)11-7(9)12-8/h4H,5H2,1-3H3/b6-4-
InChIKeyWCPYGQMRKHDAOB-XQRVVYSFSA-N
XLogP1.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(2-methoxyethylidene)-4,4-dimethyl-1,3-dioxolan-2-one?
The IUPAC name of (5Z)-5-(2-methoxyethylidene)-4,4-dimethyl-1,3-dioxolan-2-one (CID 16724862) is (5Z)-5-(2-methoxyethylidene)-4,4-dimethyl-1,3-dioxolan-2-one.
What is the SMILES notation for (5Z)-5-(2-methoxyethylidene)-4,4-dimethyl-1,3-dioxolan-2-one?
The canonical SMILES for (5Z)-5-(2-methoxyethylidene)-4,4-dimethyl-1,3-dioxolan-2-one is COC/C=C1\OC(=O)OC1(C)C.
What is the InChIKey of (5Z)-5-(2-methoxyethylidene)-4,4-dimethyl-1,3-dioxolan-2-one?
The InChIKey is WCPYGQMRKHDAOB-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H12O4/c1-8(2)6(4-5-10-3)11-7(9)12-8/h4H,5H2,1-3H3/b6-4-.
What are the key properties of (5Z)-5-(2-methoxyethylidene)-4,4-dimethyl-1,3-dioxolan-2-one?
(5Z)-5-(2-methoxyethylidene)-4,4-dimethyl-1,3-dioxolan-2-one has a molecular weight of 172.18 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2-methoxyethylidene)-4,4-dimethyl-1,3-dioxolan-2-one is sourced from PubChem (CID 16724862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).