2-methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane

C15H24O — CID 23454477

IUPAC2-methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane
SMILESC=C1CC(C)OC(C2C3CCC(C3)C2C)C1
InChIInChI=1S/C15H24O/c1-9-6-10(2)16-14(7-9)15-11(3)12-4-5-13(15)8-12/h10-15H,1,4-8H2,2-3H3
InChIKeyONTJFQRGNFIENB-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.79
Rot. Bonds1

About 2-methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane

2-methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane (PubChem CID 23454477) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane.

Molecular Properties

Compound Name2-methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane
PubChem CID23454477
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane
SMILESC=C1CC(C)OC(C2C3CCC(C3)C2C)C1
InChIInChI=1S/C15H24O/c1-9-6-10(2)16-14(7-9)15-11(3)12-4-5-13(15)8-12/h10-15H,1,4-8H2,2-3H3
InChIKeyONTJFQRGNFIENB-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.79
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-methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane?
The IUPAC name of 2-methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane (CID 23454477) is 2-methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane.
What is the SMILES notation for 2-methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane?
The canonical SMILES for 2-methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane is C=C1CC(C)OC(C2C3CCC(C3)C2C)C1.
What is the InChIKey of 2-methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane?
The InChIKey is ONTJFQRGNFIENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-9-6-10(2)16-14(7-9)15-11(3)12-4-5-13(15)8-12/h10-15H,1,4-8H2,2-3H3.
What are the key properties of 2-methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane?
2-methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane has a molecular weight of 220.36 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane is sourced from PubChem (CID 23454477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).