(3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan

C8H12O — CID 139878669

IUPAC(3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan
SMILESC=C1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C8H12O/c1-6-2-7-4-9-5-8(7)3-6/h7-8H,1-5H2/t7-,8+
InChIKeyYBYGEZUEHWSSIA-OCAPTIKFSA-N
MW124.18 g/mol
LogP1.60
Rot. Bonds

About (3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan

(3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan (PubChem CID 139878669) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan.

Molecular Properties

Compound Name(3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan
PubChem CID139878669
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan
SMILESC=C1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C8H12O/c1-6-2-7-4-9-5-8(7)3-6/h7-8H,1-5H2/t7-,8+
InChIKeyYBYGEZUEHWSSIA-OCAPTIKFSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan?
The IUPAC name of (3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan (CID 139878669) is (3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan.
What is the SMILES notation for (3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan?
The canonical SMILES for (3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan is C=C1C[C@H]2COC[C@H]2C1.
What is the InChIKey of (3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan?
The InChIKey is YBYGEZUEHWSSIA-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H12O/c1-6-2-7-4-9-5-8(7)3-6/h7-8H,1-5H2/t7-,8+.
What are the key properties of (3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan?
(3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan has a molecular weight of 124.18 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan is sourced from PubChem (CID 139878669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).