3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan

C15H24O — CID 134965902

IUPAC3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan
SMILESC=C(C)C1CCCCC1C1=CC(C)(C)CO1
InChIInChI=1S/C15H24O/c1-11(2)12-7-5-6-8-13(12)14-9-15(3,4)10-16-14/h9,12-13H,1,5-8,10H2,2-4H3
InChIKeyLTHYADNCIJXUHL-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.31
Rot. Bonds2

About 3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan

3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan (PubChem CID 134965902) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan.

Molecular Properties

Compound Name3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan
PubChem CID134965902
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan
SMILESC=C(C)C1CCCCC1C1=CC(C)(C)CO1
InChIInChI=1S/C15H24O/c1-11(2)12-7-5-6-8-13(12)14-9-15(3,4)10-16-14/h9,12-13H,1,5-8,10H2,2-4H3
InChIKeyLTHYADNCIJXUHL-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan with MolForge

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

Launch Full Analysis

Related Compounds

2H-Pyran, tetrahydro-4-methylene-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990784
3,4-Dihydro-2H-pyran, 3-isopropyl-6-methyl-2-(3-methylcyclopent-2-enyl)
CID 6428357
(1S,9S,9aR)-1,9,9a-trimethyl-2,4,5,7,8,9-hexahydro-1H-benzo[e][1]benzofuran
CID 101860558
trans-8-Methoxy-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 145369
(3aS,7aS)-2-methoxy-3a-[(E)-prop-1-enyl]-1,4,5,6,7,7a-hexahydroindene
CID 134837450
(4aS,8S)-6-methoxy-8-methyl-2,3,4,4a,5,8-hexahydro-1H-benzo[7]annulene
CID 134837860
3-propoxy-2,4,5,6,7,7a-hexahydro-1H-indene
CID 271065
5-Cyclohexyl-2,3-dihydrofuran
CID 15838080
6-(3-Ethoxybut-3-enyl)-1,5,5-trimethylcyclohexene
CID 19780772
5-Methyl-3-(3,5,5-trimethylhexyl)-2,3-dihydrofuran
CID 66913080
6-[1-(4-tert-butylcyclohexen-1-yl)ethyl]-3,4-dihydro-2H-pyran
CID 68013694
2-Cyclohexyl-5-methyl-2,3-dihydrofuran
CID 68070734

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan?
The IUPAC name of 3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan (CID 134965902) is 3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan.
What is the SMILES notation for 3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan?
The canonical SMILES for 3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan is C=C(C)C1CCCCC1C1=CC(C)(C)CO1.
What is the InChIKey of 3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan?
The InChIKey is LTHYADNCIJXUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)12-7-5-6-8-13(12)14-9-15(3,4)10-16-14/h9,12-13H,1,5-8,10H2,2-4H3.
What are the key properties of 3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan?
3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan has a molecular weight of 220.36 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(2-prop-1-en-2-ylcyclohexyl)-2H-furan is sourced from PubChem (CID 134965902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).