1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene

C18H18 — CID 141083969

IUPAC1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene
SMILESC1=CCC2CCC(C3C=Cc4ccccc43)C2=C1
InChIInChI=1S/C18H18/c1-3-7-15-13(5-1)9-11-17(15)18-12-10-14-6-2-4-8-16(14)18/h1-5,7-9,11,14,17-18H,6,10,12H2
InChIKeyLIHQZYSLJALZKH-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.71
Rot. Bonds1

About 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene

1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene (PubChem CID 141083969) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene.

Molecular Properties

Compound Name1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene
PubChem CID141083969
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene
SMILESC1=CCC2CCC(C3C=Cc4ccccc43)C2=C1
InChIInChI=1S/C18H18/c1-3-7-15-13(5-1)9-11-17(15)18-12-10-14-6-2-4-8-16(14)18/h1-5,7-9,11,14,17-18H,6,10,12H2
InChIKeyLIHQZYSLJALZKH-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopropyl-1H-indene
CID 15439193
1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene
CID 141088468
1-cyclohexyl-1H-indene
CID 13380096
(2S)-2-(1H-inden-1-yl)cyclohexan-1-one
CID 90281446
1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride
CID 172863415
1-(cyclopenta-1,3-dien-1-ylmethyl)-1H-indene
CID 21188895
4-(1H-inden-1-yl)trioxane
CID 154398872
cyclopenta-1,3-diene;dichlorozirconium;1-(1H-inden-1-yl)-1H-indene
CID 19077874
1,2,3,4,4a,5-hexahydronaphthalen-1-amine
CID 139821666
3-(1,2-dihydronaphthalen-1-yl)pyrrolidine
CID 19043208
(2R)-1,2-dihydronaphthalen-2-ol
CID 12963098
1,2-dihydronaphthalen-1-ylphosphane
CID 154530712

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene?
The IUPAC name of 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene (CID 141083969) is 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene.
What is the SMILES notation for 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene?
The canonical SMILES for 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene is C1=CCC2CCC(C3C=Cc4ccccc43)C2=C1.
What is the InChIKey of 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene?
The InChIKey is LIHQZYSLJALZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-3-7-15-13(5-1)9-11-17(15)18-12-10-14-6-2-4-8-16(14)18/h1-5,7-9,11,14,17-18H,6,10,12H2.
What are the key properties of 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene?
1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene has a molecular weight of 234.34 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene is sourced from PubChem (CID 141083969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).