oxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone

C19H26O2 — CID 116525791

IUPACoxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)C3CCOC3)ccc21
InChIInChI=1S/C19H26O2/c1-18(2)8-9-19(3,4)16-11-13(5-6-15(16)18)17(20)14-7-10-21-12-14/h5-6,11,14H,7-10,12H2,1-4H3
InChIKeyVJRFEDVFEOSMLW-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.25
Rot. Bonds2

About oxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone

oxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone (PubChem CID 116525791) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is oxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Nameoxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone
PubChem CID116525791
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Nameoxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)C3CCOC3)ccc21
InChIInChI=1S/C19H26O2/c1-18(2)8-9-19(3,4)16-11-13(5-6-15(16)18)17(20)14-7-10-21-12-14/h5-6,11,14H,7-10,12H2,1-4H3
InChIKeyVJRFEDVFEOSMLW-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone?
The IUPAC name of oxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone (CID 116525791) is oxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone.
What is the SMILES notation for oxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone?
The canonical SMILES for oxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone is CC1(C)CCC(C)(C)c2cc(C(=O)C3CCOC3)ccc21.
What is the InChIKey of oxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone?
The InChIKey is VJRFEDVFEOSMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-18(2)8-9-19(3,4)16-11-13(5-6-15(16)18)17(20)14-7-10-21-12-14/h5-6,11,14H,7-10,12H2,1-4H3.
What are the key properties of oxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone?
oxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone is sourced from PubChem (CID 116525791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).