(3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate

C15H24O4 — CID 88927732

IUPAC(3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1C2CC(C)C(C2)C1(C)OC=O
InChIInChI=1S/C15H24O4/c1-5-9(2)14(17)19-13-11-6-10(3)12(7-11)15(13,4)18-8-16/h8-13H,5-7H2,1-4H3
InChIKeySVNRZDQDMCSDJZ-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.55
Rot. Bonds5

About (3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate

(3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate (PubChem CID 88927732) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate.

Molecular Properties

Compound Name(3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
PubChem CID88927732
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1C2CC(C)C(C2)C1(C)OC=O
InChIInChI=1S/C15H24O4/c1-5-9(2)14(17)19-13-11-6-10(3)12(7-11)15(13,4)18-8-16/h8-13H,5-7H2,1-4H3
InChIKeySVNRZDQDMCSDJZ-UHFFFAOYSA-N
XLogP2.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate 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 (3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?
The IUPAC name of (3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate (CID 88927732) is (3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate.
What is the SMILES notation for (3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?
The canonical SMILES for (3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate is CCC(C)C(=O)OC1C2CC(C)C(C2)C1(C)OC=O.
What is the InChIKey of (3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?
The InChIKey is SVNRZDQDMCSDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-5-9(2)14(17)19-13-11-6-10(3)12(7-11)15(13,4)18-8-16/h8-13H,5-7H2,1-4H3.
What are the key properties of (3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?
(3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate has a molecular weight of 268.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formyloxy-3,5-dimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate is sourced from PubChem (CID 88927732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).