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

C13H20O — CID 23454487

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane
SMILESC=C1CCOC(C2CC3CCC2C3)C1
InChIInChI=1S/C13H20O/c1-9-4-5-14-13(6-9)12-8-10-2-3-11(12)7-10/h10-13H,1-8H2
InChIKeyBQWVBRNXKINVSH-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.16
Rot. Bonds1

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

2-(2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane (PubChem CID 23454487) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane
PubChem CID23454487
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane
SMILESC=C1CCOC(C2CC3CCC2C3)C1
InChIInChI=1S/C13H20O/c1-9-4-5-14-13(6-9)12-8-10-2-3-11(12)7-10/h10-13H,1-8H2
InChIKeyBQWVBRNXKINVSH-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.16
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)-4-methylideneoxane?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane (CID 23454487) is 2-(2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane is C=C1CCOC(C2CC3CCC2C3)C1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane?
The InChIKey is BQWVBRNXKINVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-9-4-5-14-13(6-9)12-8-10-2-3-11(12)7-10/h10-13H,1-8H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane?
2-(2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane has a molecular weight of 192.30 g/mol, XLogP of 3.16, 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)-4-methylideneoxane is sourced from PubChem (CID 23454487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).