1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride

C20H28Cl2 — CID 172863415

IUPAC1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride
SMILESC1=CCC2CCC(CCC3CCC4CC=CC=C43)C2=C1.Cl.Cl
InChIInChI=1S/C20H26.2ClH/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;/h1-4,7-8,15-18H,5-6,9-14H2;2*1H
InChIKeyZQWUUWOSSRUQPE-UHFFFAOYSA-N
MW339.35 g/mol
LogP6.44
Rot. Bonds3

About 1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride

1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride (PubChem CID 172863415) has the molecular formula C20H28Cl2 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride.

Molecular Properties

Compound Name1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride
PubChem CID172863415
Molecular FormulaC20H28Cl2
Molecular Weight339.35 g/mol
Exact Mass338.16
IUPAC Name1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride
SMILESC1=CCC2CCC(CCC3CCC4CC=CC=C43)C2=C1.Cl.Cl
InChIInChI=1S/C20H26.2ClH/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;/h1-4,7-8,15-18H,5-6,9-14H2;2*1H
InChIKeyZQWUUWOSSRUQPE-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.35
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride with MolForge

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Related Compounds

1,2,3,4,4a,5-hexahydronaphthalen-1-amine
CID 139821666
2,3,3a,4-tetrahydro-1H-inden-1-yl(dimethyl)silane
CID 150074036
1,2,3,4,4a,5-hexahydronaphthalen-1-ol
CID 91026557
1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene
CID 141083969
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinolin-1-ol
CID 141374768
1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethane-1,2-diol;2-methylpropan-2-amine;titanium(2+);dichloride
CID 174427060
2,3,3a,4-tetrahydro-1H-inden-1-yl prop-2-enoate
CID 150816342
2-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 140969179
2,3,3a,4-tetrahydro-1H-inden-1-yl 2-methylprop-2-enoate
CID 150441183
2,3,3a,4-tetrahydro-1H-indene;ethane-1,2-diol;titanium(2+);dichloride
CID 174467670
2-cyclohexylcyclohexa-2,4-dien-1-ol
CID 173193560
3-amino-1,3,4,5,5a,6-hexahydro-1-benzazepin-2-one
CID 172713565

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride?
The IUPAC name of 1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride (CID 172863415) is 1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride.
What is the SMILES notation for 1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride?
The canonical SMILES for 1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride is C1=CCC2CCC(CCC3CCC4CC=CC=C43)C2=C1.Cl.Cl.
What is the InChIKey of 1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride?
The InChIKey is ZQWUUWOSSRUQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26.2ClH/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;/h1-4,7-8,15-18H,5-6,9-14H2;2*1H.
What are the key properties of 1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride?
1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride has a molecular weight of 339.35 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,3a,4-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,4-tetrahydro-1H-indene;dihydrochloride is sourced from PubChem (CID 172863415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).