(6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one

C15H26O4Si — CID 177425680

IUPAC(6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one
SMILESC[C@@H]1CCOC2(C=CC(=O)O2)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O4Si/c1-11-8-10-17-15(9-7-12(16)18-15)13(11)19-20(5,6)14(2,3)4/h7,9,11,13H,8,10H2,1-6H3/t11-,13-,15?/m1/s1
InChIKeyVKZQJVQIJJHRKQ-HNVBAWDGSA-N
MW298.45 g/mol
LogP3.24
Rot. Bonds2

About (6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one

(6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one (PubChem CID 177425680) has the molecular formula C15H26O4Si and a molecular weight of 298.45 g/mol. Its IUPAC name is (6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name(6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one
PubChem CID177425680
Molecular FormulaC15H26O4Si
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Name(6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one
SMILESC[C@@H]1CCOC2(C=CC(=O)O2)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O4Si/c1-11-8-10-17-15(9-7-12(16)18-15)13(11)19-20(5,6)14(2,3)4/h7,9,11,13H,8,10H2,1-6H3/t11-,13-,15?/m1/s1
InChIKeyVKZQJVQIJJHRKQ-HNVBAWDGSA-N
XLogP3.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

5-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one
CID 11098627
methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate
CID 138985052
ethyl (Z,4R,5R,6R,8R)-8-[(4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-4-ethyl-5-(methoxymethoxy)-6-methylnon-2-enoate
CID 25052810
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]pent-2-enoate
CID 102202167
(5S,6R)-6-methoxy-8-trimethylsilyloxy-1-oxaspiro[4.5]deca-3,7-dien-2-one
CID 134845125
(3E,9E)-13-[but-3-en-2-yl-di(propan-2-yl)silyl]oxy-7-(2,2-dimethyl-1,3-dioxolan-4-yl)-15-methyl-6,21-dioxabicyclo[15.3.1]henicosa-3,9,19-trien-5-one
CID 140520607
tert-butyl (E)-6-[(2S,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-6-methylhept-2-enoate
CID 155725412
ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxyhept-2-enoate
CID 167539606
methyl (E,6R)-6-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxyhept-2-enoate
CID 167626057
cyclohexylmethyl (E,6R)-6-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxyhept-2-enoate
CID 167633668
tert-butyl (E)-6-[(2S,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxy-6-methylhept-2-enoate
CID 167640626
(E,6R)-6-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxyhept-2-enoic acid
CID 167669330

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of (6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one (CID 177425680) is (6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for (6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for (6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one is C[C@@H]1CCOC2(C=CC(=O)O2)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one?
The InChIKey is VKZQJVQIJJHRKQ-HNVBAWDGSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-11-8-10-17-15(9-7-12(16)18-15)13(11)19-20(5,6)14(2,3)4/h7,9,11,13H,8,10H2,1-6H3/t11-,13-,15?/m1/s1.
What are the key properties of (6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one?
(6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one has a molecular weight of 298.45 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1,10-dioxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 177425680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).