1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-tetrahydroindene

C34H58O — CID 57163870

IUPAC1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-tetrahydroindene
SMILESCCCC1(C)C(C)(C)C2=C(C(OC3CCCC4=C3C(C)(C)C(C)(CCC)C4(C)C)CCC2)C1(C)C
InChIInChI=1S/C34H58O/c1-13-21-33(11)29(3,4)23-17-15-19-25(27(23)31(33,7)8)35-26-20-16-18-24-28(26)32(9,10)34(12,22-14-2)30(24,5)6/h25-26H,13-22H2,1-12H3
InChIKeyWEIKVYNGHGADAJ-UHFFFAOYSA-N
MW482.84 g/mol
LogP10.45
Rot. Bonds6

About 1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-tetrahydroindene

1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-tetrahydroindene (PubChem CID 57163870) has the molecular formula C34H58O and a molecular weight of 482.84 g/mol. Its IUPAC name is 1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-tetrahydroindene.

Molecular Properties

Compound Name1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-tetrahydroindene
PubChem CID57163870
Molecular FormulaC34H58O
Molecular Weight482.84 g/mol
Exact Mass482.45
IUPAC Name1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-tetrahydroindene
SMILESCCCC1(C)C(C)(C)C2=C(C(OC3CCCC4=C3C(C)(C)C(C)(CCC)C4(C)C)CCC2)C1(C)C
InChIInChI=1S/C34H58O/c1-13-21-33(11)29(3,4)23-17-15-19-25(27(23)31(33,7)8)35-26-20-16-18-24-28(26)32(9,10)34(12,22-14-2)30(24,5)6/h25-26H,13-22H2,1-12H3
InChIKeyWEIKVYNGHGADAJ-UHFFFAOYSA-N
XLogP10.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.84
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-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 1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-tetrahydroindene?
The IUPAC name of 1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-tetrahydroindene (CID 57163870) is 1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-tetrahydroindene.
What is the SMILES notation for 1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-tetrahydroindene?
The canonical SMILES for 1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-tetrahydroindene is CCCC1(C)C(C)(C)C2=C(C(OC3CCCC4=C3C(C)(C)C(C)(CCC)C4(C)C)CCC2)C1(C)C.
What is the InChIKey of 1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-tetrahydroindene?
The InChIKey is WEIKVYNGHGADAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58O/c1-13-21-33(11)29(3,4)23-17-15-19-25(27(23)31(33,7)8)35-26-20-16-18-24-28(26)32(9,10)34(12,22-14-2)30(24,5)6/h25-26H,13-22H2,1-12H3.
What are the key properties of 1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-tetrahydroindene?
1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-tetrahydroindene has a molecular weight of 482.84 g/mol, XLogP of 10.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentamethyl-4-[(1,1,2,3,3-pentamethyl-2-propyl-4,5,6,7-tetrahydroinden-4-yl)oxy]-2-propyl-4,5,6,7-tetrahydroindene is sourced from PubChem (CID 57163870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).