1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane

C15H24O — CID 562067

IUPAC1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane
SMILESC=C1C2COCC3C2C(C(C)C)CCC13C
InChIInChI=1S/C15H24O/c1-9(2)11-5-6-15(4)10(3)12-7-16-8-13(15)14(11)12/h9,11-14H,3,5-8H2,1-2,4H3
InChIKeyKDKRHPHEWUSWKM-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.51
Rot. Bonds1

About 1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane

1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane (PubChem CID 562067) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane.

Molecular Properties

Compound Name1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane
PubChem CID562067
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane
SMILESC=C1C2COCC3C2C(C(C)C)CCC13C
InChIInChI=1S/C15H24O/c1-9(2)11-5-6-15(4)10(3)12-7-16-8-13(15)14(11)12/h9,11-14H,3,5-8H2,1-2,4H3
InChIKeyKDKRHPHEWUSWKM-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylideneoxane
CID 23458136
(1R,6S,9R)-2-butyl-6,10,10-trimethyl-4-oxatricyclo[7.2.1.01,6]dodec-2-ene
CID 162716067

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane?
The IUPAC name of 1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane (CID 562067) is 1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane.
What is the SMILES notation for 1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane?
The canonical SMILES for 1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane is C=C1C2COCC3C2C(C(C)C)CCC13C.
What is the InChIKey of 1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane?
The InChIKey is KDKRHPHEWUSWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-9(2)11-5-6-15(4)10(3)12-7-16-8-13(15)14(11)12/h9,11-14H,3,5-8H2,1-2,4H3.
What are the key properties of 1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane?
1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane has a molecular weight of 220.36 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecane is sourced from PubChem (CID 562067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).