1-[2-[(1R)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexahydro-1H-indene

C20H30 — CID 91303520

IUPAC1-[2-[(1R)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexahydro-1H-indene
SMILESC1CCC2=C(C1)CCC2CC[C@@H]1CCC2=C1CCCC2
InChIInChI=1S/C20H30/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h17-18H,1-14H2/t17-,18?/m0/s1
InChIKeyQETASDRXMVERDM-ZENAZSQFSA-N
MW270.46 g/mol
LogP6.33
Rot. Bonds3

About 1-[2-[(1R)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexahydro-1H-indene

1-[2-[(1R)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexahydro-1H-indene (PubChem CID 91303520) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[2-[(1R)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexahydro-1H-indene.

Molecular Properties

Compound Name1-[2-[(1R)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexahydro-1H-indene
PubChem CID91303520
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name1-[2-[(1R)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexahydro-1H-indene
SMILESC1CCC2=C(C1)CCC2CC[C@@H]1CCC2=C1CCCC2
InChIInChI=1S/C20H30/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h17-18H,1-14H2/t17-,18?/m0/s1
InChIKeyQETASDRXMVERDM-ZENAZSQFSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexahydro-1H-indene?
The IUPAC name of 1-[2-[(1R)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexahydro-1H-indene (CID 91303520) is 1-[2-[(1R)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexahydro-1H-indene.
What is the SMILES notation for 1-[2-[(1R)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexahydro-1H-indene?
The canonical SMILES for 1-[2-[(1R)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexahydro-1H-indene is C1CCC2=C(C1)CCC2CC[C@@H]1CCC2=C1CCCC2.
What is the InChIKey of 1-[2-[(1R)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexahydro-1H-indene?
The InChIKey is QETASDRXMVERDM-ZENAZSQFSA-N. The full InChI is InChI=1S/C20H30/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h17-18H,1-14H2/t17-,18?/m0/s1.
What are the key properties of 1-[2-[(1R)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexahydro-1H-indene?
1-[2-[(1R)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexahydro-1H-indene has a molecular weight of 270.46 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexahydro-1H-indene is sourced from PubChem (CID 91303520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).