(3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene

C20H26 — CID 134866152

IUPAC(3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene
SMILESC1=CC2C(CCC3CC[C@@H]4C=CC=CC34)CC[C@@H]2C=C1
InChIInChI=1S/C20H26/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h1-8,15-20H,9-14H2/t15-,16-,17?,18?,19?,20?/m0/s1
InChIKeyJCQDNGJTNUGCRV-VPWCILEZSA-N
MW266.43 g/mol
LogP5.30
Rot. Bonds3

About (3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene

(3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 134866152) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is (3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name(3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID134866152
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name(3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene
SMILESC1=CC2C(CCC3CC[C@@H]4C=CC=CC34)CC[C@@H]2C=C1
InChIInChI=1S/C20H26/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h1-8,15-20H,9-14H2/t15-,16-,17?,18?,19?,20?/m0/s1
InChIKeyJCQDNGJTNUGCRV-VPWCILEZSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of (3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene (CID 134866152) is (3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for (3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for (3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene is C1=CC2C(CCC3CC[C@@H]4C=CC=CC34)CC[C@@H]2C=C1.
What is the InChIKey of (3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is JCQDNGJTNUGCRV-VPWCILEZSA-N. The full InChI is InChI=1S/C20H26/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h1-8,15-20H,9-14H2/t15-,16-,17?,18?,19?,20?/m0/s1.
What are the key properties of (3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene?
(3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 266.43 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 134866152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).