6-(1,3,5-trimethyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran

C15H22O — CID 57126541

IUPAC6-(1,3,5-trimethyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
SMILESCC1=CC2(C)CC1C(C)C2C1C=CCCO1
InChIInChI=1S/C15H22O/c1-10-8-15(3)9-12(10)11(2)14(15)13-6-4-5-7-16-13/h4,6,8,11-14H,5,7,9H2,1-3H3
InChIKeyABTPFFPQFLUKDC-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.57
Rot. Bonds1

About 6-(1,3,5-trimethyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran

6-(1,3,5-trimethyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran (PubChem CID 57126541) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 6-(1,3,5-trimethyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(1,3,5-trimethyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
PubChem CID57126541
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name6-(1,3,5-trimethyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
SMILESCC1=CC2(C)CC1C(C)C2C1C=CCCO1
InChIInChI=1S/C15H22O/c1-10-8-15(3)9-12(10)11(2)14(15)13-6-4-5-7-16-13/h4,6,8,11-14H,5,7,9H2,1-3H3
InChIKeyABTPFFPQFLUKDC-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(1,3,5-trimethyl-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

Frequently Asked Questions

What is the IUPAC name of 6-(1,3,5-trimethyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 6-(1,3,5-trimethyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran (CID 57126541) is 6-(1,3,5-trimethyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-(1,3,5-trimethyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-(1,3,5-trimethyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran is CC1=CC2(C)CC1C(C)C2C1C=CCCO1.
What is the InChIKey of 6-(1,3,5-trimethyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
The InChIKey is ABTPFFPQFLUKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-10-8-15(3)9-12(10)11(2)14(15)13-6-4-5-7-16-13/h4,6,8,11-14H,5,7,9H2,1-3H3.
What are the key properties of 6-(1,3,5-trimethyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran?
6-(1,3,5-trimethyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran has a molecular weight of 218.34 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,5-trimethyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 57126541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).