2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dimethyl-3,6-dihydro-2H-pyran

C16H26O — CID 23458134

IUPAC2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dimethyl-3,6-dihydro-2H-pyran
SMILESCC1=CC(C)OC(C2C3CCC(C3)C2(C)C)C1
InChIInChI=1S/C16H26O/c1-10-7-11(2)17-14(8-10)15-12-5-6-13(9-12)16(15,3)4/h7,11-15H,5-6,8-9H2,1-4H3
InChIKeyGDENEOFASCQALK-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.18
Rot. Bonds1

About 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dimethyl-3,6-dihydro-2H-pyran

2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dimethyl-3,6-dihydro-2H-pyran (PubChem CID 23458134) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dimethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dimethyl-3,6-dihydro-2H-pyran
PubChem CID23458134
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dimethyl-3,6-dihydro-2H-pyran
SMILESCC1=CC(C)OC(C2C3CCC(C3)C2(C)C)C1
InChIInChI=1S/C16H26O/c1-10-7-11(2)17-14(8-10)15-12-5-6-13(9-12)16(15,3)4/h7,11-15H,5-6,8-9H2,1-4H3
InChIKeyGDENEOFASCQALK-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.18
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 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dimethyl-3,6-dihydro-2H-pyran?
The IUPAC name of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dimethyl-3,6-dihydro-2H-pyran (CID 23458134) is 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dimethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dimethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dimethyl-3,6-dihydro-2H-pyran is CC1=CC(C)OC(C2C3CCC(C3)C2(C)C)C1.
What is the InChIKey of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dimethyl-3,6-dihydro-2H-pyran?
The InChIKey is GDENEOFASCQALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-10-7-11(2)17-14(8-10)15-12-5-6-13(9-12)16(15,3)4/h7,11-15H,5-6,8-9H2,1-4H3.
What are the key properties of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dimethyl-3,6-dihydro-2H-pyran?
2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dimethyl-3,6-dihydro-2H-pyran has a molecular weight of 234.38 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4,6-dimethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 23458134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).