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

C8H12O — CID 10844389

IUPAC(3aS,6aS)-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan
SMILESC=C1CO[C@H]2CCC[C@@H]12
InChIInChI=1S/C8H12O/c1-6-5-9-8-4-2-3-7(6)8/h7-8H,1-5H2/t7-,8-/m0/s1
InChIKeyZLHAJUBUBNBSMH-YUMQZZPRSA-N
MW124.18 g/mol
LogP1.74
Rot. Bonds

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

(3aS,6aS)-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan (PubChem CID 10844389) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (3aS,6aS)-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan.

Molecular Properties

Compound Name(3aS,6aS)-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan
PubChem CID10844389
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(3aS,6aS)-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan
SMILESC=C1CO[C@H]2CCC[C@@H]12
InChIInChI=1S/C8H12O/c1-6-5-9-8-4-2-3-7(6)8/h7-8H,1-5H2/t7-,8-/m0/s1
InChIKeyZLHAJUBUBNBSMH-YUMQZZPRSA-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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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan?
The IUPAC name of (3aS,6aS)-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan (CID 10844389) is (3aS,6aS)-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan.
What is the SMILES notation for (3aS,6aS)-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan?
The canonical SMILES for (3aS,6aS)-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan is C=C1CO[C@H]2CCC[C@@H]12.
What is the InChIKey of (3aS,6aS)-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan?
The InChIKey is ZLHAJUBUBNBSMH-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H12O/c1-6-5-9-8-4-2-3-7(6)8/h7-8H,1-5H2/t7-,8-/m0/s1.
What are the key properties of (3aS,6aS)-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan?
(3aS,6aS)-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 (3aS,6aS)-3-methylidene-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan is sourced from PubChem (CID 10844389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).