4-(2-methoxyethyl)-3-methylidene-2-prop-2-enylideneoxolane

C11H16O2 — CID 123295464

IUPAC4-(2-methoxyethyl)-3-methylidene-2-prop-2-enylideneoxolane
SMILESC=CC=C1OCC(CCOC)C1=C
InChIInChI=1S/C11H16O2/c1-4-5-11-9(2)10(8-13-11)6-7-12-3/h4-5,10H,1-2,6-8H2,3H3
InChIKeySDVYHGHUJOTUPK-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.30
Rot. Bonds4

About 4-(2-methoxyethyl)-3-methylidene-2-prop-2-enylideneoxolane

4-(2-methoxyethyl)-3-methylidene-2-prop-2-enylideneoxolane (PubChem CID 123295464) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-methylidene-2-prop-2-enylideneoxolane.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-methylidene-2-prop-2-enylideneoxolane
PubChem CID123295464
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-(2-methoxyethyl)-3-methylidene-2-prop-2-enylideneoxolane
SMILESC=CC=C1OCC(CCOC)C1=C
InChIInChI=1S/C11H16O2/c1-4-5-11-9(2)10(8-13-11)6-7-12-3/h4-5,10H,1-2,6-8H2,3H3
InChIKeySDVYHGHUJOTUPK-UHFFFAOYSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-methylidene-2-prop-2-enylideneoxolane?
The IUPAC name of 4-(2-methoxyethyl)-3-methylidene-2-prop-2-enylideneoxolane (CID 123295464) is 4-(2-methoxyethyl)-3-methylidene-2-prop-2-enylideneoxolane.
What is the SMILES notation for 4-(2-methoxyethyl)-3-methylidene-2-prop-2-enylideneoxolane?
The canonical SMILES for 4-(2-methoxyethyl)-3-methylidene-2-prop-2-enylideneoxolane is C=CC=C1OCC(CCOC)C1=C.
What is the InChIKey of 4-(2-methoxyethyl)-3-methylidene-2-prop-2-enylideneoxolane?
The InChIKey is SDVYHGHUJOTUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-5-11-9(2)10(8-13-11)6-7-12-3/h4-5,10H,1-2,6-8H2,3H3.
What are the key properties of 4-(2-methoxyethyl)-3-methylidene-2-prop-2-enylideneoxolane?
4-(2-methoxyethyl)-3-methylidene-2-prop-2-enylideneoxolane has a molecular weight of 180.25 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-methylidene-2-prop-2-enylideneoxolane is sourced from PubChem (CID 123295464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).