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

C14H20O — CID 23454499

IUPAC6-(2-bicyclo[2.2.1]hept-5-enyl)-2,4-dimethyl-3,6-dihydro-2H-pyran
SMILESCC1=CC(C2CC3C=CC2C3)OC(C)C1
InChIInChI=1S/C14H20O/c1-9-5-10(2)15-14(6-9)13-8-11-3-4-12(13)7-11/h3-4,6,10-14H,5,7-8H2,1-2H3
InChIKeyKZZVMNGOPUAMKQ-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.32
Rot. Bonds1

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

6-(2-bicyclo[2.2.1]hept-5-enyl)-2,4-dimethyl-3,6-dihydro-2H-pyran (PubChem CID 23454499) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 6-(2-bicyclo[2.2.1]hept-5-enyl)-2,4-dimethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(2-bicyclo[2.2.1]hept-5-enyl)-2,4-dimethyl-3,6-dihydro-2H-pyran
PubChem CID23454499
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name6-(2-bicyclo[2.2.1]hept-5-enyl)-2,4-dimethyl-3,6-dihydro-2H-pyran
SMILESCC1=CC(C2CC3C=CC2C3)OC(C)C1
InChIInChI=1S/C14H20O/c1-9-5-10(2)15-14(6-9)13-8-11-3-4-12(13)7-11/h3-4,6,10-14H,5,7-8H2,1-2H3
InChIKeyKZZVMNGOPUAMKQ-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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 6-(2-bicyclo[2.2.1]hept-5-enyl)-2,4-dimethyl-3,6-dihydro-2H-pyran?
The IUPAC name of 6-(2-bicyclo[2.2.1]hept-5-enyl)-2,4-dimethyl-3,6-dihydro-2H-pyran (CID 23454499) is 6-(2-bicyclo[2.2.1]hept-5-enyl)-2,4-dimethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-(2-bicyclo[2.2.1]hept-5-enyl)-2,4-dimethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-(2-bicyclo[2.2.1]hept-5-enyl)-2,4-dimethyl-3,6-dihydro-2H-pyran is CC1=CC(C2CC3C=CC2C3)OC(C)C1.
What is the InChIKey of 6-(2-bicyclo[2.2.1]hept-5-enyl)-2,4-dimethyl-3,6-dihydro-2H-pyran?
The InChIKey is KZZVMNGOPUAMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9-5-10(2)15-14(6-9)13-8-11-3-4-12(13)7-11/h3-4,6,10-14H,5,7-8H2,1-2H3.
What are the key properties of 6-(2-bicyclo[2.2.1]hept-5-enyl)-2,4-dimethyl-3,6-dihydro-2H-pyran?
6-(2-bicyclo[2.2.1]hept-5-enyl)-2,4-dimethyl-3,6-dihydro-2H-pyran has a molecular weight of 204.31 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bicyclo[2.2.1]hept-5-enyl)-2,4-dimethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 23454499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).