3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene

C15H24 — CID 570507

IUPAC3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene
SMILESCC1=CCC2(C)C(=C1)C(C(C)C)CC2C
InChIInChI=1S/C15H24/c1-10(2)13-9-12(4)15(5)7-6-11(3)8-14(13)15/h6,8,10,12-13H,7,9H2,1-5H3
InChIKeyIVBZYUKCNLJUDA-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.58
Rot. Bonds1

About 3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene

3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene (PubChem CID 570507) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene.

Molecular Properties

Compound Name3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene
PubChem CID570507
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene
SMILESCC1=CCC2(C)C(=C1)C(C(C)C)CC2C
InChIInChI=1S/C15H24/c1-10(2)13-9-12(4)15(5)7-6-11(3)8-14(13)15/h6,8,10,12-13H,7,9H2,1-5H3
InChIKeyIVBZYUKCNLJUDA-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene 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 3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene?
The IUPAC name of 3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene (CID 570507) is 3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene.
What is the SMILES notation for 3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene?
The canonical SMILES for 3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene is CC1=CCC2(C)C(=C1)C(C(C)C)CC2C.
What is the InChIKey of 3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene?
The InChIKey is IVBZYUKCNLJUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-10(2)13-9-12(4)15(5)7-6-11(3)8-14(13)15/h6,8,10,12-13H,7,9H2,1-5H3.
What are the key properties of 3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene?
3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene has a molecular weight of 204.36 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene is sourced from PubChem (CID 570507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).