(2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

C19H26O2 — CID 115783977

IUPAC(2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCC(C)(C)c1ccccc1C(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C19H26O2/c1-18(2,3)16-8-5-4-7-15(16)17(20)14-9-12-21-19(13-14)10-6-11-19/h4-5,7-8,14H,6,9-13H2,1-3H3
InChIKeyWDGDIWDQLCZDCA-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.52
Rot. Bonds2

About (2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone

(2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 115783977) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name(2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID115783977
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESCC(C)(C)c1ccccc1C(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C19H26O2/c1-18(2,3)16-8-5-4-7-15(16)17(20)14-9-12-21-19(13-14)10-6-11-19/h4-5,7-8,14H,6,9-13H2,1-3H3
InChIKeyWDGDIWDQLCZDCA-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of (2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 115783977) is (2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for (2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for (2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is CC(C)(C)c1ccccc1C(=O)C1CCOC2(CCC2)C1.
What is the InChIKey of (2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is WDGDIWDQLCZDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-18(2,3)16-8-5-4-7-15(16)17(20)14-9-12-21-19(13-14)10-6-11-19/h4-5,7-8,14H,6,9-13H2,1-3H3.
What are the key properties of (2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone?
(2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 115783977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).