8-[2-(5-ethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)ethoxy]tricyclo[5.2.1.02,6]decane

C23H38O2 — CID 123679425

IUPAC8-[2-(5-ethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)ethoxy]tricyclo[5.2.1.02,6]decane
SMILESCCOC1CCC2CC(CCOC3CC4CC3C3CCCC43)CC2C1
InChIInChI=1S/C23H38O2/c1-2-24-19-7-6-16-10-15(11-17(16)12-19)8-9-25-23-14-18-13-22(23)21-5-3-4-20(18)21/h15-23H,2-14H2,1H3
InChIKeyYJOOWKBGQRQICZ-UHFFFAOYSA-N
MW346.56 g/mol
LogP5.45
Rot. Bonds6

About 8-[2-(5-ethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)ethoxy]tricyclo[5.2.1.02,6]decane

8-[2-(5-ethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)ethoxy]tricyclo[5.2.1.02,6]decane (PubChem CID 123679425) has the molecular formula C23H38O2 and a molecular weight of 346.56 g/mol. Its IUPAC name is 8-[2-(5-ethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)ethoxy]tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name8-[2-(5-ethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)ethoxy]tricyclo[5.2.1.02,6]decane
PubChem CID123679425
Molecular FormulaC23H38O2
Molecular Weight346.56 g/mol
Exact Mass346.29
IUPAC Name8-[2-(5-ethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)ethoxy]tricyclo[5.2.1.02,6]decane
SMILESCCOC1CCC2CC(CCOC3CC4CC3C3CCCC43)CC2C1
InChIInChI=1S/C23H38O2/c1-2-24-19-7-6-16-10-15(11-17(16)12-19)8-9-25-23-14-18-13-22(23)21-5-3-4-20(18)21/h15-23H,2-14H2,1H3
InChIKeyYJOOWKBGQRQICZ-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(5-ethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)ethoxy]tricyclo[5.2.1.02,6]decane?
The IUPAC name of 8-[2-(5-ethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)ethoxy]tricyclo[5.2.1.02,6]decane (CID 123679425) is 8-[2-(5-ethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)ethoxy]tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 8-[2-(5-ethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)ethoxy]tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 8-[2-(5-ethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)ethoxy]tricyclo[5.2.1.02,6]decane is CCOC1CCC2CC(CCOC3CC4CC3C3CCCC43)CC2C1.
What is the InChIKey of 8-[2-(5-ethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)ethoxy]tricyclo[5.2.1.02,6]decane?
The InChIKey is YJOOWKBGQRQICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O2/c1-2-24-19-7-6-16-10-15(11-17(16)12-19)8-9-25-23-14-18-13-22(23)21-5-3-4-20(18)21/h15-23H,2-14H2,1H3.
What are the key properties of 8-[2-(5-ethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)ethoxy]tricyclo[5.2.1.02,6]decane?
8-[2-(5-ethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)ethoxy]tricyclo[5.2.1.02,6]decane has a molecular weight of 346.56 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(5-ethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)ethoxy]tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 123679425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).