3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan

C8H12O — CID 12915929

IUPAC3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan
SMILESC=C1COC2CCCC12
InChIInChI=1S/C8H12O/c1-6-5-9-8-4-2-3-7(6)8/h7-8H,1-5H2
InChIKeyZLHAJUBUBNBSMH-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.74
Rot. Bonds

About 3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan

3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan (PubChem CID 12915929) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan.

Molecular Properties

Compound Name3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan
PubChem CID12915929
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan
SMILESC=C1COC2CCCC12
InChIInChI=1S/C8H12O/c1-6-5-9-8-4-2-3-7(6)8/h7-8H,1-5H2
InChIKeyZLHAJUBUBNBSMH-UHFFFAOYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3aR,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 12791815
2-Cyclopentyl-4-methylideneoxolane
CID 14143977
2-Cyclopentyl-3-methylideneoxolane
CID 88988813
2-Methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 90997735
(3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 147973275
(3aS,6aS)-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan
CID 10844389
2-Methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 12791814
(3aS,6aR)-6-methylidene-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan
CID 101580025
(3E)-3-prop-2-enylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan
CID 177403873

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan?
The IUPAC name of 3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan (CID 12915929) is 3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan.
What is the SMILES notation for 3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan?
The canonical SMILES for 3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan is C=C1COC2CCCC12.
What is the InChIKey of 3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan?
The InChIKey is ZLHAJUBUBNBSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6-5-9-8-4-2-3-7(6)8/h7-8H,1-5H2.
What are the key properties of 3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan?
3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan has a molecular weight of 124.18 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan is sourced from PubChem (CID 12915929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).