7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde

C15H22O2 — CID 14034104

IUPAC7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde
SMILESCC(C)(C)OC1CC=C2C(C=O)=CCCC21C
InChIInChI=1S/C15H22O2/c1-14(2,3)17-13-8-7-12-11(10-16)6-5-9-15(12,13)4/h6-7,10,13H,5,8-9H2,1-4H3
InChIKeyIXIMRYFUJDXVJM-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.43
Rot. Bonds2

About 7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde

7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde (PubChem CID 14034104) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde.

Molecular Properties

Compound Name7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde
PubChem CID14034104
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde
SMILESCC(C)(C)OC1CC=C2C(C=O)=CCCC21C
InChIInChI=1S/C15H22O2/c1-14(2,3)17-13-8-7-12-11(10-16)6-5-9-15(12,13)4/h6-7,10,13H,5,8-9H2,1-4H3
InChIKeyIXIMRYFUJDXVJM-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde 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 7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde?
The IUPAC name of 7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde (CID 14034104) is 7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde.
What is the SMILES notation for 7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde?
The canonical SMILES for 7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde is CC(C)(C)OC1CC=C2C(C=O)=CCCC21C.
What is the InChIKey of 7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde?
The InChIKey is IXIMRYFUJDXVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-14(2,3)17-13-8-7-12-11(10-16)6-5-9-15(12,13)4/h6-7,10,13H,5,8-9H2,1-4H3.
What are the key properties of 7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde?
7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde has a molecular weight of 234.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,6,7-tetrahydroindene-4-carbaldehyde is sourced from PubChem (CID 14034104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).