3,6-dihydrocyclohepta[b]furan-2-one;ethane

C11H14O2 — CID 143284504

IUPAC3,6-dihydrocyclohepta[b]furan-2-one;ethane
SMILESCC.O=C1CC2=C(C=CCC=C2)O1
InChIInChI=1S/C9H8O2.C2H6/c10-9-6-7-4-2-1-3-5-8(7)11-9;1-2/h2-5H,1,6H2;1-2H3
InChIKeyXUZVWPBWCONFKD-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.73
Rot. Bonds

About 3,6-dihydrocyclohepta[b]furan-2-one;ethane

3,6-dihydrocyclohepta[b]furan-2-one;ethane (PubChem CID 143284504) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3,6-dihydrocyclohepta[b]furan-2-one;ethane.

Molecular Properties

Compound Name3,6-dihydrocyclohepta[b]furan-2-one;ethane
PubChem CID143284504
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3,6-dihydrocyclohepta[b]furan-2-one;ethane
SMILESCC.O=C1CC2=C(C=CCC=C2)O1
InChIInChI=1S/C9H8O2.C2H6/c10-9-6-7-4-2-1-3-5-8(7)11-9;1-2/h2-5H,1,6H2;1-2H3
InChIKeyXUZVWPBWCONFKD-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6,8-Trimethyl-2H-cyclohepta(b)furan-2-one
CID 324821
3-acetyl-2H-cyclohepta[b]furan-2-one
CID 5324003
5-But-2-enylidene-3-prop-1-enylfuran-2-one
CID 85817228
5-(E)-But-2-enylidene-3-(E)-propenyl-5H-furan-2-one
CID 139587167
3-Ethyl-5-(propan-1-ylidene)-2,5-dihydrofuran-2-one
CID 12572642
3,6,9-Trimethylazuleno[4,5-b]furan-2,7-dione
CID 13892739
3-Methyl-cyclohepta[b]furan-2-one
CID 12868284
4,5,6,7,8-Pentamethylcyclohepta[b]furan-2-one
CID 15486674
(5Z)-3-ethyl-5-propylidenefuran-2-one
CID 134916039
3-Propyl-5,6-dihydro-1h-isochromen-1-one
CID 10910328
5-Propan-2-ylcyclohepta[b]furan-2-one
CID 15082596
3-Propionylcycloheptafuran-2-one
CID 22634769

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydrocyclohepta[b]furan-2-one;ethane?
The IUPAC name of 3,6-dihydrocyclohepta[b]furan-2-one;ethane (CID 143284504) is 3,6-dihydrocyclohepta[b]furan-2-one;ethane.
What is the SMILES notation for 3,6-dihydrocyclohepta[b]furan-2-one;ethane?
The canonical SMILES for 3,6-dihydrocyclohepta[b]furan-2-one;ethane is CC.O=C1CC2=C(C=CCC=C2)O1.
What is the InChIKey of 3,6-dihydrocyclohepta[b]furan-2-one;ethane?
The InChIKey is XUZVWPBWCONFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.C2H6/c10-9-6-7-4-2-1-3-5-8(7)11-9;1-2/h2-5H,1,6H2;1-2H3.
What are the key properties of 3,6-dihydrocyclohepta[b]furan-2-one;ethane?
3,6-dihydrocyclohepta[b]furan-2-one;ethane has a molecular weight of 178.23 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydrocyclohepta[b]furan-2-one;ethane is sourced from PubChem (CID 143284504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).