2,2,4,4,7,7-hexamethyl-1,3,3a,7a-tetrahydroindene

C15H26 — CID 557759

IUPAC2,2,4,4,7,7-hexamethyl-1,3,3a,7a-tetrahydroindene
SMILESCC1(C)CC2C(C1)C(C)(C)C=CC2(C)C
InChIInChI=1S/C15H26/c1-13(2)9-11-12(10-13)15(5,6)8-7-14(11,3)4/h7-8,11-12H,9-10H2,1-6H3
InChIKeyUCIIQFCULZIVSE-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.66
Rot. Bonds

About 2,2,4,4,7,7-hexamethyl-1,3,3a,7a-tetrahydroindene

2,2,4,4,7,7-hexamethyl-1,3,3a,7a-tetrahydroindene (PubChem CID 557759) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 2,2,4,4,7,7-hexamethyl-1,3,3a,7a-tetrahydroindene.

Molecular Properties

Compound Name2,2,4,4,7,7-hexamethyl-1,3,3a,7a-tetrahydroindene
PubChem CID557759
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name2,2,4,4,7,7-hexamethyl-1,3,3a,7a-tetrahydroindene
SMILESCC1(C)CC2C(C1)C(C)(C)C=CC2(C)C
InChIInChI=1S/C15H26/c1-13(2)9-11-12(10-13)15(5,6)8-7-14(11,3)4/h7-8,11-12H,9-10H2,1-6H3
InChIKeyUCIIQFCULZIVSE-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,7,7-hexamethyl-1,3,3a,7a-tetrahydroindene?
The IUPAC name of 2,2,4,4,7,7-hexamethyl-1,3,3a,7a-tetrahydroindene (CID 557759) is 2,2,4,4,7,7-hexamethyl-1,3,3a,7a-tetrahydroindene.
What is the SMILES notation for 2,2,4,4,7,7-hexamethyl-1,3,3a,7a-tetrahydroindene?
The canonical SMILES for 2,2,4,4,7,7-hexamethyl-1,3,3a,7a-tetrahydroindene is CC1(C)CC2C(C1)C(C)(C)C=CC2(C)C.
What is the InChIKey of 2,2,4,4,7,7-hexamethyl-1,3,3a,7a-tetrahydroindene?
The InChIKey is UCIIQFCULZIVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-13(2)9-11-12(10-13)15(5,6)8-7-14(11,3)4/h7-8,11-12H,9-10H2,1-6H3.
What are the key properties of 2,2,4,4,7,7-hexamethyl-1,3,3a,7a-tetrahydroindene?
2,2,4,4,7,7-hexamethyl-1,3,3a,7a-tetrahydroindene has a molecular weight of 206.37 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,7,7-hexamethyl-1,3,3a,7a-tetrahydroindene is sourced from PubChem (CID 557759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).