2-(2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane

C14H22O — CID 23454490

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane
SMILESC=C1CC(C)OC(C2CC3CCC2C3)C1
InChIInChI=1S/C14H22O/c1-9-5-10(2)15-14(6-9)13-8-11-3-4-12(13)7-11/h10-14H,1,3-8H2,2H3
InChIKeyPQRWCUYGYBDFJY-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.55
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane

2-(2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane (PubChem CID 23454490) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane
PubChem CID23454490
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane
SMILESC=C1CC(C)OC(C2CC3CCC2C3)C1
InChIInChI=1S/C14H22O/c1-9-5-10(2)15-14(6-9)13-8-11-3-4-12(13)7-11/h10-14H,1,3-8H2,2H3
InChIKeyPQRWCUYGYBDFJY-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.55
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-(2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane (CID 23454490) is 2-(2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane is C=C1CC(C)OC(C2CC3CCC2C3)C1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane?
The InChIKey is PQRWCUYGYBDFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-9-5-10(2)15-14(6-9)13-8-11-3-4-12(13)7-11/h10-14H,1,3-8H2,2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane?
2-(2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane has a molecular weight of 206.33 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-6-methyl-4-methylideneoxane is sourced from PubChem (CID 23454490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).