1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene

C20H22 — CID 23282026

IUPAC1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene
SMILESCC(C)(C1=CC2=C(CCC2)C1)C1C=Cc2ccccc21
InChIInChI=1S/C20H22/c1-20(2,17-12-15-7-5-8-16(15)13-17)19-11-10-14-6-3-4-9-18(14)19/h3-4,6,9-12,19H,5,7-8,13H2,1-2H3
InChIKeyHAPFSHYTMPZQCH-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.63
Rot. Bonds2

About 1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene

1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene (PubChem CID 23282026) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene.

Molecular Properties

Compound Name1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene
PubChem CID23282026
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene
SMILESCC(C)(C1=CC2=C(CCC2)C1)C1C=Cc2ccccc21
InChIInChI=1S/C20H22/c1-20(2,17-12-15-7-5-8-16(15)13-17)19-11-10-14-6-3-4-9-18(14)19/h3-4,6,9-12,19H,5,7-8,13H2,1-2H3
InChIKeyHAPFSHYTMPZQCH-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[2-(5,6-dimethyl-1H-inden-1-yl)propan-2-yl]-1,4,5,6,7,8-hexahydroazulene
CID 54445192
9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene
CID 23282038
1-(2-fluoropropan-2-yl)-1H-indene
CID 139709792
1-[tris(1H-inden-1-yl)methyl]-1H-indene
CID 57113891
1-[2-(1H-inden-1-yl)propan-2-yl]-9H-fluorene
CID 22259766
1-[2-(1H-inden-1-yl)propan-2-yl]-2,4-dimethyl-4H-cyclopenta[b]naphthalene
CID 173040978
2,2-bis(1H-inden-1-yl)propane-1,3-dithiol
CID 151956943
4-bromo-1-[2-(4-bromo-1H-inden-2-yl)propan-2-yl]-1H-indene
CID 67039896
1-(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)-1H-indene
CID 139709796
1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene
CID 59397611
3-[2-(1H-inden-1-yl)propan-2-yl]-2-methyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
CID 90832524
4-cyclopenta-1,3-dien-1-yl-4-(1H-inden-1-yl)pentan-1-ol
CID 18622744

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene?
The IUPAC name of 1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene (CID 23282026) is 1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene.
What is the SMILES notation for 1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene?
The canonical SMILES for 1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene is CC(C)(C1=CC2=C(CCC2)C1)C1C=Cc2ccccc21.
What is the InChIKey of 1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene?
The InChIKey is HAPFSHYTMPZQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-20(2,17-12-15-7-5-8-16(15)13-17)19-11-10-14-6-3-4-9-18(14)19/h3-4,6,9-12,19H,5,7-8,13H2,1-2H3.
What are the key properties of 1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene?
1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene has a molecular weight of 262.40 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4,5,6-tetrahydropentalen-2-yl)propan-2-yl]-1H-indene is sourced from PubChem (CID 23282026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).