3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene

C28H32 — CID 123755719

IUPAC3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)CC=C3CCC1=CCc2ccccc21
InChIInChI=1S/C28H32/c1-27(2)15-16-28(3,4)26-18-24-21(13-14-22(24)17-25(26)27)12-11-20-10-9-19-7-5-6-8-23(19)20/h5-8,10,13,17-18H,9,11-12,14-16H2,1-4H3
InChIKeyPKWVTWFQCWTAOH-UHFFFAOYSA-N
MW368.56 g/mol
LogP7.39
Rot. Bonds3

About 3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene

3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene (PubChem CID 123755719) has the molecular formula C28H32 and a molecular weight of 368.56 g/mol. Its IUPAC name is 3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene
PubChem CID123755719
Molecular FormulaC28H32
Molecular Weight368.56 g/mol
Exact Mass368.25
IUPAC Name3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)CC=C3CCC1=CCc2ccccc21
InChIInChI=1S/C28H32/c1-27(2)15-16-28(3,4)26-18-24-21(13-14-22(24)17-25(26)27)12-11-20-10-9-19-7-5-6-8-23(19)20/h5-8,10,13,17-18H,9,11-12,14-16H2,1-4H3
InChIKeyPKWVTWFQCWTAOH-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene?
The IUPAC name of 3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene (CID 123755719) is 3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene.
What is the SMILES notation for 3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene?
The canonical SMILES for 3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene is CC1(C)CCC(C)(C)c2cc3c(cc21)CC=C3CCC1=CCc2ccccc21.
What is the InChIKey of 3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene?
The InChIKey is PKWVTWFQCWTAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32/c1-27(2)15-16-28(3,4)26-18-24-21(13-14-22(24)17-25(26)27)12-11-20-10-9-19-7-5-6-8-23(19)20/h5-8,10,13,17-18H,9,11-12,14-16H2,1-4H3.
What are the key properties of 3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene?
3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene has a molecular weight of 368.56 g/mol, XLogP of 7.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene is sourced from PubChem (CID 123755719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).