(1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one

C19H30O3Si — CID 101461673

IUPAC(1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)OC[C@]12C[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C19H30O3Si/c1-7-15(22-23(5,6)18(2,3)4)16-17(20)21-12-19(16)11-13-8-9-14(19)10-13/h7-9,13-16H,1,10-12H2,2-6H3/t13-,14+,15+,16+,19+/m1/s1
InChIKeyFBUPROGBGVYJDP-CUGJGTHOSA-N
MW334.53 g/mol
LogP4.32
Rot. Bonds4

About (1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one

(1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one (PubChem CID 101461673) has the molecular formula C19H30O3Si and a molecular weight of 334.53 g/mol. Its IUPAC name is (1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one.

Molecular Properties

Compound Name(1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one
PubChem CID101461673
Molecular FormulaC19H30O3Si
Molecular Weight334.53 g/mol
Exact Mass334.20
IUPAC Name(1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)OC[C@]12C[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C19H30O3Si/c1-7-15(22-23(5,6)18(2,3)4)16-17(20)21-12-19(16)11-13-8-9-14(19)10-13/h7-9,13-16H,1,10-12H2,2-6H3/t13-,14+,15+,16+,19+/m1/s1
InChIKeyFBUPROGBGVYJDP-CUGJGTHOSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.32
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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Related Compounds

tert-butyl-[(1R)-1-cyclopropylprop-2-enoxy]-dimethylsilane
CID 67046197
1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 11301397
(3S,4R,5R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-4-ethenyl-5-[(E)-hydroxyiminomethyl]oxolan-2-one
CID 177424845
2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]
CID 91139857
(3R,3aR,6R,7aS)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(2S)-2,4,4-trimethyl-1,3-dioxolan-2-yl]-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 101114509
[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 10709515
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde
CID 10563121
(2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol
CID 11472865
[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 71559955
(3S,6S,9S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one
CID 11559916
tert-butyl-(4,4-dimethylpent-1-en-3-yloxy)-dimethylsilane
CID 14644027
N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine
CID 67593437

Frequently Asked Questions

What is the IUPAC name of (1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one?
The IUPAC name of (1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one (CID 101461673) is (1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one.
What is the SMILES notation for (1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one?
The canonical SMILES for (1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)OC[C@]12C[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one?
The InChIKey is FBUPROGBGVYJDP-CUGJGTHOSA-N. The full InChI is InChI=1S/C19H30O3Si/c1-7-15(22-23(5,6)18(2,3)4)16-17(20)21-12-19(16)11-13-8-9-14(19)10-13/h7-9,13-16H,1,10-12H2,2-6H3/t13-,14+,15+,16+,19+/m1/s1.
What are the key properties of (1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one?
(1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one has a molecular weight of 334.53 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one is sourced from PubChem (CID 101461673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).