4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan

C13H22O — CID 54238174

IUPAC4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
SMILESCC=CC1OCC2(C)CCC(C)(C)C12
InChIInChI=1S/C13H22O/c1-5-6-10-11-12(2,3)7-8-13(11,4)9-14-10/h5-6,10-11H,7-9H2,1-4H3
InChIKeyQOBJRANWINLRNX-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.40
Rot. Bonds1

About 4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan

4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan (PubChem CID 54238174) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
PubChem CID54238174
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
SMILESCC=CC1OCC2(C)CCC(C)(C)C12
InChIInChI=1S/C13H22O/c1-5-6-10-11-12(2,3)7-8-13(11,4)9-14-10/h5-6,10-11H,7-9H2,1-4H3
InChIKeyQOBJRANWINLRNX-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.40
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 4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan?
The IUPAC name of 4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan (CID 54238174) is 4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for 4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan?
The canonical SMILES for 4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan is CC=CC1OCC2(C)CCC(C)(C)C12.
What is the InChIKey of 4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan?
The InChIKey is QOBJRANWINLRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-5-6-10-11-12(2,3)7-8-13(11,4)9-14-10/h5-6,10-11H,7-9H2,1-4H3.
What are the key properties of 4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan?
4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan has a molecular weight of 194.32 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6a-trimethyl-3-prop-1-enyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 54238174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).