2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran

C32H50O2 — CID 71108604

IUPAC2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran
SMILESC1CCC2CC3CC4OC(C5CC6CC7CC8CCCCC8CC7CC6O5)CC4CC3CC2C1
InChIInChI=1S/C32H50O2/c1-3-7-21-11-25-15-29-27(13-23(25)9-19(21)5-1)17-31(33-29)32-18-28-14-24-10-20-6-2-4-8-22(20)12-26(24)16-30(28)34-32/h19-32H,1-18H2
InChIKeyLLLLZSQYEWJOGI-UHFFFAOYSA-N
MW466.75 g/mol
LogP7.79
Rot. Bonds1

About 2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran

2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran (PubChem CID 71108604) has the molecular formula C32H50O2 and a molecular weight of 466.75 g/mol. Its IUPAC name is 2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran.

Molecular Properties

Compound Name2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran
PubChem CID71108604
Molecular FormulaC32H50O2
Molecular Weight466.75 g/mol
Exact Mass466.38
IUPAC Name2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran
SMILESC1CCC2CC3CC4OC(C5CC6CC7CC8CCCCC8CC7CC6O5)CC4CC3CC2C1
InChIInChI=1S/C32H50O2/c1-3-7-21-11-25-15-29-27(13-23(25)9-19(21)5-1)17-31(33-29)32-18-28-14-24-10-20-6-2-4-8-22(20)12-26(24)16-30(28)34-32/h19-32H,1-18H2
InChIKeyLLLLZSQYEWJOGI-UHFFFAOYSA-N
XLogP7.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.75
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran?
The IUPAC name of 2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran (CID 71108604) is 2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran.
What is the SMILES notation for 2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran?
The canonical SMILES for 2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran is C1CCC2CC3CC4OC(C5CC6CC7CC8CCCCC8CC7CC6O5)CC4CC3CC2C1.
What is the InChIKey of 2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran?
The InChIKey is LLLLZSQYEWJOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O2/c1-3-7-21-11-25-15-29-27(13-23(25)9-19(21)5-1)17-31(33-29)32-18-28-14-24-10-20-6-2-4-8-22(20)12-26(24)16-30(28)34-32/h19-32H,1-18H2.
What are the key properties of 2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran?
2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran has a molecular weight of 466.75 g/mol, XLogP of 7.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran-2-yl)-2,3,3a,4,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydronaphtho[2,3-f][1]benzofuran is sourced from PubChem (CID 71108604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).