1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene

C32H50 — CID 123969397

IUPAC1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCC1=C(C)C2C(C)C(C)C(CCC3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C34)C2C(C)=C1C
InChIInChI=1S/C32H50/c1-15-17(3)23(9)31-27(19(5)25(11)29(31)21(15)7)13-14-28-20(6)26(12)30-22(8)16(2)18(4)24(10)32(28)30/h19-20,25-32H,13-14H2,1-12H3
InChIKeyFIYOHYFDPQCWDG-UHFFFAOYSA-N
MW434.75 g/mol
LogP9.41
Rot. Bonds3

About 1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene

1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 123969397) has the molecular formula C32H50 and a molecular weight of 434.75 g/mol. Its IUPAC name is 1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID123969397
Molecular FormulaC32H50
Molecular Weight434.75 g/mol
Exact Mass434.39
IUPAC Name1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCC1=C(C)C2C(C)C(C)C(CCC3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C34)C2C(C)=C1C
InChIInChI=1S/C32H50/c1-15-17(3)23(9)31-27(19(5)25(11)29(31)21(15)7)13-14-28-20(6)26(12)30-22(8)16(2)18(4)24(10)32(28)30/h19-20,25-32H,13-14H2,1-12H3
InChIKeyFIYOHYFDPQCWDG-UHFFFAOYSA-N
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.75
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene (CID 123969397) is 1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene is CC1=C(C)C2C(C)C(C)C(CCC3C(C)C(C)C4C(C)=C(C)C(C)=C(C)C34)C2C(C)=C1C.
What is the InChIKey of 1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is FIYOHYFDPQCWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50/c1-15-17(3)23(9)31-27(19(5)25(11)29(31)21(15)7)13-14-28-20(6)26(12)30-22(8)16(2)18(4)24(10)32(28)30/h19-20,25-32H,13-14H2,1-12H3.
What are the key properties of 1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene?
1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 434.75 g/mol, XLogP of 9.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 123969397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).