2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol

C14H18O2 — CID 89386750

IUPAC2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol
SMILESC=C=C1CC(C2=CC=CCC2)OC1CCO
InChIInChI=1S/C14H18O2/c1-2-11-10-14(16-13(11)8-9-15)12-6-4-3-5-7-12/h3-4,6,13-15H,1,5,7-10H2
InChIKeySCDSORFYWXTFCI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.51
Rot. Bonds3

About 2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol

2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol (PubChem CID 89386750) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol
PubChem CID89386750
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol
SMILESC=C=C1CC(C2=CC=CCC2)OC1CCO
InChIInChI=1S/C14H18O2/c1-2-11-10-14(16-13(11)8-9-15)12-6-4-3-5-7-12/h3-4,6,13-15H,1,5,7-10H2
InChIKeySCDSORFYWXTFCI-UHFFFAOYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol?
The IUPAC name of 2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol (CID 89386750) is 2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol.
What is the SMILES notation for 2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol?
The canonical SMILES for 2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol is C=C=C1CC(C2=CC=CCC2)OC1CCO.
What is the InChIKey of 2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol?
The InChIKey is SCDSORFYWXTFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-11-10-14(16-13(11)8-9-15)12-6-4-3-5-7-12/h3-4,6,13-15H,1,5,7-10H2.
What are the key properties of 2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol?
2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol has a molecular weight of 218.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexa-1,3-dien-1-yl-3-ethenylideneoxolan-2-yl)ethanol is sourced from PubChem (CID 89386750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).