ethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane

C15H28O — CID 143806870

IUPACethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane
SMILESC=C/C=C1/CCOC/C1=C/CC.CC.CC
InChIInChI=1S/C11H16O.2C2H6/c1-3-5-10-7-8-12-9-11(10)6-4-2;2*1-2/h3,5-6H,1,4,7-9H2,2H3;2*1-2H3/b10-5-,11-6-;;
InChIKeyGPXJNQBTOGKQQB-RNUXQIGMSA-N
MW224.39 g/mol
LogP4.91
Rot. Bonds2

About ethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane

ethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane (PubChem CID 143806870) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane.

Molecular Properties

Compound Nameethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane
PubChem CID143806870
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Nameethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane
SMILESC=C/C=C1/CCOC/C1=C/CC.CC.CC
InChIInChI=1S/C11H16O.2C2H6/c1-3-5-10-7-8-12-9-11(10)6-4-2;2*1-2/h3,5-6H,1,4,7-9H2,2H3;2*1-2H3/b10-5-,11-6-;;
InChIKeyGPXJNQBTOGKQQB-RNUXQIGMSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethylidene-3-prop-2-enylideneoxane
CID 91078972
(1Z,2Z)-1-prop-2-enylidene-2-propylidenecyclohexane
CID 143194645
(3E,4Z)-3,4-di(ethylidene)oxane;ethane
CID 143460049
3-ethylidene-4-prop-2-enylideneoxolane
CID 90927536
(2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane
CID 143166519
(2E,3Z)-2-ethylidene-3-propylideneoxolane
CID 142121655
(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-dioxolane
CID 89377812
ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecycloheptane
CID 143924638
3-ethylidene-2-prop-2-enylideneoxolane
CID 91481308
1-ethylidene-2-prop-2-enylidenecyclooctane
CID 91407681
ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one
CID 143243807
but-1-ene;propylidenecyclopropane
CID 23054525

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane?
The IUPAC name of ethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane (CID 143806870) is ethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane.
What is the SMILES notation for ethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane?
The canonical SMILES for ethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane is C=C/C=C1/CCOC/C1=C/CC.CC.CC.
What is the InChIKey of ethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane?
The InChIKey is GPXJNQBTOGKQQB-RNUXQIGMSA-N. The full InChI is InChI=1S/C11H16O.2C2H6/c1-3-5-10-7-8-12-9-11(10)6-4-2;2*1-2/h3,5-6H,1,4,7-9H2,2H3;2*1-2H3/b10-5-,11-6-;;.
What are the key properties of ethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane?
ethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane has a molecular weight of 224.39 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane is sourced from PubChem (CID 143806870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).