2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane

C14H20O — CID 23454475

IUPAC2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane
SMILESC=C1CCOC(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/h3-4,10-14H,1,5-8H2,2H3
InChIKeyPTYNXWBIIXDNQV-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.18
Rot. Bonds1

About 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane

2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane (PubChem CID 23454475) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane.

Molecular Properties

Compound Name2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane
PubChem CID23454475
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane
SMILESC=C1CCOC(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/h3-4,10-14H,1,5-8H2,2H3
InChIKeyPTYNXWBIIXDNQV-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'}

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Related Compounds

2H-Pyran, tetrahydro-4-methylene-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990784
(1R,3S,4S)-1',4,7,7-tetramethylspiro[2-oxabicyclo[2.2.1]heptane-3,4'-cyclohexene]
CID 100984563
2-{Bicyclo[2.2.1]hept-5-en-2-yl}oxirane
CID 247190
2H-Pyran, tetrahydro-2,4-dimethyl-6-(3-methylbicyclo(2.2.1)hept-5-en-2-yl)-, didehydro deriv.
CID 23454481
5-(Octaoxymethyl)-2-norbornene
CID 86185185
2H-Pyran, 2-bicyclo[2.2.1]hept-5-en-2-yltetrahydro-4,6-dimethyl-, didehydro deriv.
CID 138401795
5-[2-Fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]bicyclo[2.2.1]hept-2-ene
CID 23405515
(2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene
CID 10774208
5-(Decoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 90727032
3-Isopropyl-2-(3-methyl-cyclopent-2-enyl)-tetrahydrofuran
CID 102012177
(1S,4S,5R,6S)-5,6-bis(methoxymethyl)-2-methylbicyclo[2.2.1]hept-2-ene
CID 102388534
2-Cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene
CID 134857056

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane?
The IUPAC name of 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane (CID 23454475) is 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane.
What is the SMILES notation for 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane?
The canonical SMILES for 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane is C=C1CCOC(C2C3C=CC(C3)C2C)C1.
What is the InChIKey of 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane?
The InChIKey is PTYNXWBIIXDNQV-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/h3-4,10-14H,1,5-8H2,2H3.
What are the key properties of 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane?
2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane 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 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-4-methylideneoxane is sourced from PubChem (CID 23454475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).