(2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan

C15H22O — CID 174150770

IUPAC(2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan
SMILESC=CC=C1/C(=C\C)OC2CCCCCCC12
InChIInChI=1S/C15H22O/c1-3-9-12-13-10-7-5-6-8-11-15(13)16-14(12)4-2/h3-4,9,13,15H,1,5-8,10-11H2,2H3/b12-9?,14-4+
InChIKeyPIIOIXGRCHFUMO-DWPWLVSUSA-N
MW218.34 g/mol
LogP4.37
Rot. Bonds1

About (2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan

(2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan (PubChem CID 174150770) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan.

Molecular Properties

Compound Name(2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan
PubChem CID174150770
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan
SMILESC=CC=C1/C(=C\C)OC2CCCCCCC12
InChIInChI=1S/C15H22O/c1-3-9-12-13-10-7-5-6-8-11-15(13)16-14(12)4-2/h3-4,9,13,15H,1,5-8,10-11H2,2H3/b12-9?,14-4+
InChIKeyPIIOIXGRCHFUMO-DWPWLVSUSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan?
The IUPAC name of (2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan (CID 174150770) is (2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan.
What is the SMILES notation for (2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan?
The canonical SMILES for (2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan is C=CC=C1/C(=C\C)OC2CCCCCCC12.
What is the InChIKey of (2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan?
The InChIKey is PIIOIXGRCHFUMO-DWPWLVSUSA-N. The full InChI is InChI=1S/C15H22O/c1-3-9-12-13-10-7-5-6-8-11-15(13)16-14(12)4-2/h3-4,9,13,15H,1,5-8,10-11H2,2H3/b12-9?,14-4+.
What are the key properties of (2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan?
(2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan has a molecular weight of 218.34 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-3-prop-2-enylidene-3a,4,5,6,7,8,9,9a-octahydrocycloocta[b]furan is sourced from PubChem (CID 174150770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).