2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan

C12H20O — CID 25257554

IUPAC2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
SMILESC=CC1CC2CCC(C)(C)C2(C)O1
InChIInChI=1S/C12H20O/c1-5-10-8-9-6-7-11(2,3)12(9,4)13-10/h5,9-10H,1,6-8H2,2-4H3
InChIKeyRKOHUSPIEUDINW-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.16
Rot. Bonds1

About 2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan

2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan (PubChem CID 25257554) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
PubChem CID25257554
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
SMILESC=CC1CC2CCC(C)(C)C2(C)O1
InChIInChI=1S/C12H20O/c1-5-10-8-9-6-7-11(2,3)12(9,4)13-10/h5,9-10H,1,6-8H2,2-4H3
InChIKeyRKOHUSPIEUDINW-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan?
The IUPAC name of 2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan (CID 25257554) is 2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for 2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan?
The canonical SMILES for 2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan is C=CC1CC2CCC(C)(C)C2(C)O1.
What is the InChIKey of 2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan?
The InChIKey is RKOHUSPIEUDINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-5-10-8-9-6-7-11(2,3)12(9,4)13-10/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan?
2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan has a molecular weight of 180.29 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 25257554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).