3-ethylidene-2-prop-2-enylideneoxolane

C9H12O — CID 91481308

IUPAC3-ethylidene-2-prop-2-enylideneoxolane
SMILESC=CC=C1OCCC1=CC
InChIInChI=1S/C9H12O/c1-3-5-9-8(4-2)6-7-10-9/h3-5H,1,6-7H2,2H3
InChIKeyKIHDVRBOUQJNSC-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.42
Rot. Bonds1

About 3-ethylidene-2-prop-2-enylideneoxolane

3-ethylidene-2-prop-2-enylideneoxolane (PubChem CID 91481308) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 3-ethylidene-2-prop-2-enylideneoxolane.

Molecular Properties

Compound Name3-ethylidene-2-prop-2-enylideneoxolane
PubChem CID91481308
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name3-ethylidene-2-prop-2-enylideneoxolane
SMILESC=CC=C1OCCC1=CC
InChIInChI=1S/C9H12O/c1-3-5-9-8(4-2)6-7-10-9/h3-5H,1,6-7H2,2H3
InChIKeyKIHDVRBOUQJNSC-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-2-prop-2-enylideneoxolane?
The IUPAC name of 3-ethylidene-2-prop-2-enylideneoxolane (CID 91481308) is 3-ethylidene-2-prop-2-enylideneoxolane.
What is the SMILES notation for 3-ethylidene-2-prop-2-enylideneoxolane?
The canonical SMILES for 3-ethylidene-2-prop-2-enylideneoxolane is C=CC=C1OCCC1=CC.
What is the InChIKey of 3-ethylidene-2-prop-2-enylideneoxolane?
The InChIKey is KIHDVRBOUQJNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-3-5-9-8(4-2)6-7-10-9/h3-5H,1,6-7H2,2H3.
What are the key properties of 3-ethylidene-2-prop-2-enylideneoxolane?
3-ethylidene-2-prop-2-enylideneoxolane has a molecular weight of 136.19 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-2-prop-2-enylideneoxolane is sourced from PubChem (CID 91481308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).