(1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one

C20H34O3Si — CID 154720810

IUPAC(1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one
SMILESC=C1/C=C/[C@H](C(C)C)CC(O[Si](C)(C)C(C)(C)C)C(=O)[C@@H]2O[C@@H]2C1
InChIInChI=1S/C20H34O3Si/c1-13(2)15-10-9-14(3)11-17-19(22-17)18(21)16(12-15)23-24(7,8)20(4,5)6/h9-10,13,15-17,19H,3,11-12H2,1-2,4-8H3/b10-9+/t15-,16?,17+,19+/m0/s1
InChIKeySGISTVPJDKYUDP-XLSGHONESA-N
MW350.58 g/mol
LogP4.89
Rot. Bonds3

About (1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one

(1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one (PubChem CID 154720810) has the molecular formula C20H34O3Si and a molecular weight of 350.58 g/mol. Its IUPAC name is (1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one.

Molecular Properties

Compound Name(1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one
PubChem CID154720810
Molecular FormulaC20H34O3Si
Molecular Weight350.58 g/mol
Exact Mass350.23
IUPAC Name(1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one
SMILESC=C1/C=C/[C@H](C(C)C)CC(O[Si](C)(C)C(C)(C)C)C(=O)[C@@H]2O[C@@H]2C1
InChIInChI=1S/C20H34O3Si/c1-13(2)15-10-9-14(3)11-17-19(22-17)18(21)16(12-15)23-24(7,8)20(4,5)6/h9-10,13,15-17,19H,3,11-12H2,1-2,4-8H3/b10-9+/t15-,16?,17+,19+/m0/s1
InChIKeySGISTVPJDKYUDP-XLSGHONESA-N
XLogP4.89
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one with MolForge

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Related Compounds

(1R,4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]heptan-2-one
CID 14331785
tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane
CID 135022444
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
trans-(9R,11R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-11-phenyl-oxacycloundecan-2-one
CID 56603590
(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 89246042
3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one
CID 162711473
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
(1R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,8-dioxabicyclo[3.2.1]octan-2-one
CID 23254737
[(6R,8S,8aS)-6,8-dimethyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
CID 157142781
[(1S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 10507613
trimethyl-(4-methylidenecyclopent-2-en-1-yl)oxysilane
CID 59194208

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one?
The IUPAC name of (1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one (CID 154720810) is (1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one.
What is the SMILES notation for (1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one?
The canonical SMILES for (1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one is C=C1/C=C/[C@H](C(C)C)CC(O[Si](C)(C)C(C)(C)C)C(=O)[C@@H]2O[C@@H]2C1.
What is the InChIKey of (1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one?
The InChIKey is SGISTVPJDKYUDP-XLSGHONESA-N. The full InChI is InChI=1S/C20H34O3Si/c1-13(2)15-10-9-14(3)11-17-19(22-17)18(21)16(12-15)23-24(7,8)20(4,5)6/h9-10,13,15-17,19H,3,11-12H2,1-2,4-8H3/b10-9+/t15-,16?,17+,19+/m0/s1.
What are the key properties of (1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one?
(1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one has a molecular weight of 350.58 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6E,10R)-3-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-5-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-one is sourced from PubChem (CID 154720810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).