1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one

C14H20O2 — CID 14713356

IUPAC1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one
SMILESCC(C)C1CCC2(C)C(=O)C1C1C=CC2O1
InChIInChI=1S/C14H20O2/c1-8(2)9-6-7-14(3)11-5-4-10(16-11)12(9)13(14)15/h4-5,8-12H,6-7H2,1-3H3
InChIKeyHAWHQAVSAZWDKR-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.58
Rot. Bonds1

About 1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one

1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one (PubChem CID 14713356) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one.

Molecular Properties

Compound Name1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one
PubChem CID14713356
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one
SMILESCC(C)C1CCC2(C)C(=O)C1C1C=CC2O1
InChIInChI=1S/C14H20O2/c1-8(2)9-6-7-14(3)11-5-4-10(16-11)12(9)13(14)15/h4-5,8-12H,6-7H2,1-3H3
InChIKeyHAWHQAVSAZWDKR-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one?
The IUPAC name of 1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one (CID 14713356) is 1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one.
What is the SMILES notation for 1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one?
The canonical SMILES for 1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one is CC(C)C1CCC2(C)C(=O)C1C1C=CC2O1.
What is the InChIKey of 1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one?
The InChIKey is HAWHQAVSAZWDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-8(2)9-6-7-14(3)11-5-4-10(16-11)12(9)13(14)15/h4-5,8-12H,6-7H2,1-3H3.
What are the key properties of 1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one?
1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one has a molecular weight of 220.31 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-propan-2-yl-11-oxatricyclo[4.3.1.12,5]undec-3-en-10-one is sourced from PubChem (CID 14713356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).