(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclohexyl]-2H-furan-5-one

C18H32O3Si — CID 46894952

IUPAC(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclohexyl]-2H-furan-5-one
SMILESCC1(C)CCCC[C@]1(O[Si](C)(C)C(C)(C)C)[C@H]1C=CC(=O)O1
InChIInChI=1S/C18H32O3Si/c1-16(2,3)22(6,7)21-18(14-10-11-15(19)20-14)13-9-8-12-17(18,4)5/h10-11,14H,8-9,12-13H2,1-7H3/t14-,18+/m1/s1
InChIKeyNPNJCROHPQNCDV-KDOFPFPSSA-N
MW324.54 g/mol
LogP4.83
Rot. Bonds3

About (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclohexyl]-2H-furan-5-one

(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclohexyl]-2H-furan-5-one (PubChem CID 46894952) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclohexyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclohexyl]-2H-furan-5-one
PubChem CID46894952
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclohexyl]-2H-furan-5-one
SMILESCC1(C)CCCC[C@]1(O[Si](C)(C)C(C)(C)C)[C@H]1C=CC(=O)O1
InChIInChI=1S/C18H32O3Si/c1-16(2,3)22(6,7)21-18(14-10-11-15(19)20-14)13-9-8-12-17(18,4)5/h10-11,14H,8-9,12-13H2,1-7H3/t14-,18+/m1/s1
InChIKeyNPNJCROHPQNCDV-KDOFPFPSSA-N
XLogP4.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethylcyclohexyl]ethyl]-2H-furan-5-one
CID 76323216
ethyl (E,4R)-4-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate
CID 14258812
(2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one
CID 11954682
(2R)-2-[(1S,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylheptyl]-2,3-dihydropyran-6-one
CID 135016412
(S*)-4-Bromo-5-((1R*,2S*)-1-(tert-butyldimethylsilyloxy)-2-methylcyclohexyl)furan-2(5H)-one
CID 139091540
[(1E,3E)-1-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl] acetate
CID 19779704
2-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2H-furan-5-one
CID 46894949
1-[1-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]trideca-1,3-dien-5-yl acetate
CID 54325031
[(2S,3S,4E,6R)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-4-(2-methoxy-2-oxoethylidene)-2-methyl-6-prop-2-enyloxan-3-yl] propanoate
CID 57931520
ethyl (E)-3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate
CID 58242164
ethyl (E,4S)-4-[(1R,3aR,4R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pent-2-enoate
CID 67659554
ethyl 3-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate
CID 124030026

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclohexyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclohexyl]-2H-furan-5-one (CID 46894952) is (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclohexyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclohexyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclohexyl]-2H-furan-5-one is CC1(C)CCCC[C@]1(O[Si](C)(C)C(C)(C)C)[C@H]1C=CC(=O)O1.
What is the InChIKey of (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclohexyl]-2H-furan-5-one?
The InChIKey is NPNJCROHPQNCDV-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-16(2,3)22(6,7)21-18(14-10-11-15(19)20-14)13-9-8-12-17(18,4)5/h10-11,14H,8-9,12-13H2,1-7H3/t14-,18+/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclohexyl]-2H-furan-5-one?
(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclohexyl]-2H-furan-5-one has a molecular weight of 324.54 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclohexyl]-2H-furan-5-one is sourced from PubChem (CID 46894952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).