(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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Related Compounds

(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324
(3-bromo-2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783936
(2-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79920949
1-benzothiophen-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783963
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
(3-bromo-2-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787814
(2-bromo-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787330
3,4-dihydro-2H-1,4-benzoxazin-8-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116610554
1-benzothiophen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783991
(3-bromo-2-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787426
(5-methylfuran-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783846
2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 79909150

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).