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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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 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).