4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran

C14H20O — CID 23454495

IUPAC4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
SMILESCC1=CCOC(C2C3C=CC(C3)C2C)C1
InChIInChI=1S/C14H20O/c1-9-5-6-15-13(7-9)14-10(2)11-3-4-12(14)8-11/h3-5,10-14H,6-8H2,1-2H3
InChIKeyXYJSBZSDXACTCV-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.18
Rot. Bonds1

About 4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran

4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran (PubChem CID 23454495) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
PubChem CID23454495
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
SMILESCC1=CCOC(C2C3C=CC(C3)C2C)C1
InChIInChI=1S/C14H20O/c1-9-5-6-15-13(7-9)14-10(2)11-3-4-12(14)8-11/h3-5,10-14H,6-8H2,1-2H3
InChIKeyXYJSBZSDXACTCV-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran 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

Italicene ether
CID 14105916
Bisabolene oxide
CID 56842615
3a,4,5,6,7,7a-hexahydromethoxy-4,7-methano-1H-indene
CID 13425224
6,11-oxido-Acor-4-ene
CID 91747164
(-) Italicene ether
CID 91747468
(2S,4S,5R)-4,8-dimethyl-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
CID 162941234
6,8,9-Trimethyl-4-(1-propen-1-yl)-3-oxabicyclo[3.3.1]non-6-ene
CID 5757844
2H-Pyran, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-yl)tetrahydro-4,6-dimethyl-, didehydro deriv.
CID 172922
2H-Pyran, tetrahydro-2,4-dimethyl-6-(3-methylbicyclo(2.2.1)hept-5-en-2-yl)-, didehydro deriv.
CID 23454481
2H-Pyran, 2-bicyclo[2.2.1]hept-5-en-2-yltetrahydro-4,6-dimethyl-, didehydro deriv.
CID 138401795
2-(1-Ethoxyethyl)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 88106607
10-Epi-italicene ether
CID 91747401

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran (CID 23454495) is 4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran is CC1=CCOC(C2C3C=CC(C3)C2C)C1.
What is the InChIKey of 4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
The InChIKey is XYJSBZSDXACTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9-5-6-15-13(7-9)14-10(2)11-3-4-12(14)8-11/h3-5,10-14H,6-8H2,1-2H3.
What are the key properties of 4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran has a molecular weight of 204.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 23454495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).