3-ethylidene-2-prop-2-enylideneoxepane

C11H16O — CID 91557561

IUPAC3-ethylidene-2-prop-2-enylideneoxepane
SMILESC=CC=C1OCCCCC1=CC
InChIInChI=1S/C11H16O/c1-3-7-11-10(4-2)8-5-6-9-12-11/h3-4,7H,1,5-6,8-9H2,2H3
InChIKeyJTEGPYJSHNXWPF-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.20
Rot. Bonds1

About 3-ethylidene-2-prop-2-enylideneoxepane

3-ethylidene-2-prop-2-enylideneoxepane (PubChem CID 91557561) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-ethylidene-2-prop-2-enylideneoxepane.

Molecular Properties

Compound Name3-ethylidene-2-prop-2-enylideneoxepane
PubChem CID91557561
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name3-ethylidene-2-prop-2-enylideneoxepane
SMILESC=CC=C1OCCCCC1=CC
InChIInChI=1S/C11H16O/c1-3-7-11-10(4-2)8-5-6-9-12-11/h3-4,7H,1,5-6,8-9H2,2H3
InChIKeyJTEGPYJSHNXWPF-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 3-ethylidene-2-prop-2-enylideneoxepane?
The IUPAC name of 3-ethylidene-2-prop-2-enylideneoxepane (CID 91557561) is 3-ethylidene-2-prop-2-enylideneoxepane.
What is the SMILES notation for 3-ethylidene-2-prop-2-enylideneoxepane?
The canonical SMILES for 3-ethylidene-2-prop-2-enylideneoxepane is C=CC=C1OCCCCC1=CC.
What is the InChIKey of 3-ethylidene-2-prop-2-enylideneoxepane?
The InChIKey is JTEGPYJSHNXWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-7-11-10(4-2)8-5-6-9-12-11/h3-4,7H,1,5-6,8-9H2,2H3.
What are the key properties of 3-ethylidene-2-prop-2-enylideneoxepane?
3-ethylidene-2-prop-2-enylideneoxepane has a molecular weight of 164.25 g/mol, XLogP of 3.20, 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-enylideneoxepane is sourced from PubChem (CID 91557561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).