2-prop-2-enylidene-3-propylideneoxane

C11H16O — CID 91271311

IUPAC2-prop-2-enylidene-3-propylideneoxane
SMILESC=CC=C1OCCCC1=CCC
InChIInChI=1S/C11H16O/c1-3-6-10-8-5-9-12-11(10)7-4-2/h4,6-7H,2-3,5,8-9H2,1H3
InChIKeyOPTYWROMSHGCFL-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.20
Rot. Bonds2

About 2-prop-2-enylidene-3-propylideneoxane

2-prop-2-enylidene-3-propylideneoxane (PubChem CID 91271311) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-prop-2-enylidene-3-propylideneoxane.

Molecular Properties

Compound Name2-prop-2-enylidene-3-propylideneoxane
PubChem CID91271311
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-prop-2-enylidene-3-propylideneoxane
SMILESC=CC=C1OCCCC1=CCC
InChIInChI=1S/C11H16O/c1-3-6-10-8-5-9-12-11(10)7-4-2/h4,6-7H,2-3,5,8-9H2,1H3
InChIKeyOPTYWROMSHGCFL-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylidene-3-propylideneoxane?
The IUPAC name of 2-prop-2-enylidene-3-propylideneoxane (CID 91271311) is 2-prop-2-enylidene-3-propylideneoxane.
What is the SMILES notation for 2-prop-2-enylidene-3-propylideneoxane?
The canonical SMILES for 2-prop-2-enylidene-3-propylideneoxane is C=CC=C1OCCCC1=CCC.
What is the InChIKey of 2-prop-2-enylidene-3-propylideneoxane?
The InChIKey is OPTYWROMSHGCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-6-10-8-5-9-12-11(10)7-4-2/h4,6-7H,2-3,5,8-9H2,1H3.
What are the key properties of 2-prop-2-enylidene-3-propylideneoxane?
2-prop-2-enylidene-3-propylideneoxane has a molecular weight of 164.25 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylidene-3-propylideneoxane is sourced from PubChem (CID 91271311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).