4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid

C15H24O3 — CID 142437410

IUPAC4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid
SMILESCC(C)C1CCC23COC(C2)C(C(=O)O)CCC13
InChIInChI=1S/C15H24O3/c1-9(2)10-5-6-15-7-13(18-8-15)11(14(16)17)3-4-12(10)15/h9-13H,3-8H2,1-2H3,(H,16,17)
InChIKeyIGAYHKCFEXLWEN-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.94
Rot. Bonds2

About 4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid

4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid (PubChem CID 142437410) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid
PubChem CID142437410
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid
SMILESCC(C)C1CCC23COC(C2)C(C(=O)O)CCC13
InChIInChI=1S/C15H24O3/c1-9(2)10-5-6-15-7-13(18-8-15)11(14(16)17)3-4-12(10)15/h9-13H,3-8H2,1-2H3,(H,16,17)
InChIKeyIGAYHKCFEXLWEN-UHFFFAOYSA-N
XLogP2.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid 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

(1S,3aR,5R,5aS,8aR,9S,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,7-b]furan-2,8-dione
CID 21723763
Saniculamoid A1
CID 56658252
(1S,5R,6S,7S,8S,10R,11R)-6-hydroxy-4-oxopseudoguai-12,8-olide
CID 54671717
Tetrahydrohelenalin
CID 16745539
(3aS,6S,6aS,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-3,3a,4,5,6,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione
CID 14996424
(1R,3aR,5R,8aR,9S,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,7-b]furan-2,8-dione
CID 44460854
(3S,3aS,6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-3,3a,4,5,6,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione
CID 11780449
(3S,3aS,6R,6aS)-3,6-dimethyl-2-oxo-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-6-carboxylic acid
CID 15690525
(3R,3aS,6R,6aS)-3,6-dimethyl-2-oxo-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-6-carboxylic acid
CID 15690526
6a-Hydroxy-3,6,9a-trimethyl-3,3a,4,5,6,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione
CID 72742677
Penigrisacid C
CID 146683056
(3R,3aR,6S,6aS,9aR,9bS)-3,6,9a-trimethyl-3a,4,5,6,6a,7,8,9b-octahydro-3H-azuleno[8,7-b]furan-2,9-dione
CID 162888817

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid?
The IUPAC name of 4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid (CID 142437410) is 4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid.
What is the SMILES notation for 4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid?
The canonical SMILES for 4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid is CC(C)C1CCC23COC(C2)C(C(=O)O)CCC13.
What is the InChIKey of 4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid?
The InChIKey is IGAYHKCFEXLWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-9(2)10-5-6-15-7-13(18-8-15)11(14(16)17)3-4-12(10)15/h9-13H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid?
4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid has a molecular weight of 252.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid is sourced from PubChem (CID 142437410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).