(4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one

C11H21NO2 — CID 89119119

IUPAC(4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one
SMILESCC1CCC[C@H](C)NC(=O)OC1(C)C
InChIInChI=1S/C11H21NO2/c1-8-6-5-7-9(2)12-10(13)14-11(8,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyZGSSBSWUETWQAO-GKAPJAKFSA-N
MW199.29 g/mol
LogP2.70
Rot. Bonds

About (4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one

(4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one (PubChem CID 89119119) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one.

Molecular Properties

Compound Name(4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one
PubChem CID89119119
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one
SMILESCC1CCC[C@H](C)NC(=O)OC1(C)C
InChIInChI=1S/C11H21NO2/c1-8-6-5-7-9(2)12-10(13)14-11(8,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyZGSSBSWUETWQAO-GKAPJAKFSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20872380
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CID 573565
5-methoxy-6,6-dimethyl-1,3-oxazinan-2-one
CID 58464075
(3aS,4R,7aR)-7a-hydroxy-3a,4-dimethyl-4,5,6,7-tetrahydro-3H-1-benzofuran-2-one
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4a,5-dimethyl-4,5,6,7,8,8a-hexahydronaphthalene-1,3-dione
CID 121007719
4-methyl-1,3-oxazolidin-2-one;molecular hydrogen
CID 143507654
4-[(Z)-but-2-enyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 163795265
5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 175307189
6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione
CID 43134859
(4aR,8S,8aR)-8,8a-dimethyl-4,4a,5,6,7,8-hexahydro-1H-isochromen-3-one
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3,7,7-trimethyloxazepane
CID 91048926

Frequently Asked Questions

What is the IUPAC name of (4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one?
The IUPAC name of (4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one (CID 89119119) is (4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one.
What is the SMILES notation for (4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one?
The canonical SMILES for (4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one is CC1CCC[C@H](C)NC(=O)OC1(C)C.
What is the InChIKey of (4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one?
The InChIKey is ZGSSBSWUETWQAO-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-6-5-7-9(2)12-10(13)14-11(8,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)/t8?,9-/m0/s1.
What are the key properties of (4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one?
(4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one has a molecular weight of 199.29 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,8,9,9-tetramethyl-1,3-oxazonan-2-one is sourced from PubChem (CID 89119119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).