(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one

C19H34O3Si — CID 10569049

IUPAC(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one
SMILESC=C(C)[C@@H]1CC[C@H]([C@H]2CCC(=O)CO2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si/c1-13(2)15-9-10-16(17-11-8-14(20)12-21-17)18(15)22-23(6,7)19(3,4)5/h15-18H,1,8-12H2,2-7H3/t15-,16+,17+,18-/m0/s1
InChIKeyZBWWTTWXHPVYJT-MLHJIOFPSA-N
MW338.56 g/mol
LogP4.73
Rot. Bonds4

About (6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one

(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one (PubChem CID 10569049) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is (6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one.

Molecular Properties

Compound Name(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one
PubChem CID10569049
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Name(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one
SMILESC=C(C)[C@@H]1CC[C@H]([C@H]2CCC(=O)CO2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O3Si/c1-13(2)15-9-10-16(17-11-8-14(20)12-21-17)18(15)22-23(6,7)19(3,4)5/h15-18H,1,8-12H2,2-7H3/t15-,16+,17+,18-/m0/s1
InChIKeyZBWWTTWXHPVYJT-MLHJIOFPSA-N
XLogP4.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.56
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

methyl (2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]acetate
CID 10715671
(2E)-2-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]ethanol
CID 101096077
(3R,3aR,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2,3,3a,4,6,7,8,8a-octahydro-1H-azulen-5-one
CID 11231781
4-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 85308334
(1R,3Z,7Z,9R,10R,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-12-hydroxy-4,8,12-trimethyl-14-prop-1-en-2-ylbicyclo[8.2.2]tetradeca-3,7-dien-11-one
CID 102346223
(2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 124639963
tert-butyl 5-oxooxane-2-carboxylate;ethane
CID 144712908
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11566561
(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-chloro-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 71573791
(2R,3R,3aS,7S,7aS)-2-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyl-1,2,3,3a,5,6,7,7a-octahydroinden-4-one
CID 10357243

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one?
The IUPAC name of (6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one (CID 10569049) is (6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one.
What is the SMILES notation for (6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one?
The canonical SMILES for (6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one is C=C(C)[C@@H]1CC[C@H]([C@H]2CCC(=O)CO2)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one?
The InChIKey is ZBWWTTWXHPVYJT-MLHJIOFPSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-13(2)15-9-10-16(17-11-8-14(20)12-21-17)18(15)22-23(6,7)19(3,4)5/h15-18H,1,8-12H2,2-7H3/t15-,16+,17+,18-/m0/s1.
What are the key properties of (6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one?
(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one has a molecular weight of 338.56 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-one is sourced from PubChem (CID 10569049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).