(4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one

C18H30O3Si — CID 11438672

IUPAC(4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one
SMILESC=C(C)C[C@@H](O[Si](C)(C)C)[C@@H]1CC(=O)O[C@H]1[C@@H]1CCCC1=C
InChIInChI=1S/C18H30O3Si/c1-12(2)10-16(21-22(4,5)6)15-11-17(19)20-18(15)14-9-7-8-13(14)3/h14-16,18H,1,3,7-11H2,2,4-6H3/t14-,15+,16-,18+/m1/s1
InChIKeyBYGIKVQUSDPPIR-HPFXQQBRSA-N
MW322.52 g/mol
LogP4.46
Rot. Bonds6

About (4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one

(4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one (PubChem CID 11438672) has the molecular formula C18H30O3Si and a molecular weight of 322.52 g/mol. Its IUPAC name is (4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one
PubChem CID11438672
Molecular FormulaC18H30O3Si
Molecular Weight322.52 g/mol
Exact Mass322.20
IUPAC Name(4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one
SMILESC=C(C)C[C@@H](O[Si](C)(C)C)[C@@H]1CC(=O)O[C@H]1[C@@H]1CCCC1=C
InChIInChI=1S/C18H30O3Si/c1-12(2)10-16(21-22(4,5)6)15-11-17(19)20-18(15)14-9-7-8-13(14)3/h14-16,18H,1,3,7-11H2,2,4-6H3/t14-,15+,16-,18+/m1/s1
InChIKeyBYGIKVQUSDPPIR-HPFXQQBRSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.46
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

(1S,6S,9R,13R,14S,15S,17R,19S)-14-[tert-butyl(dimethyl)silyl]oxy-6,13,19-trimethyl-11-methylidene-9-propyl-15-triethylsilyloxy-8,20-dioxabicyclo[15.2.1]icosan-7-one
CID 56954377
(1S,6S,9R,13R,14S,15S,17R,19S)-6,13,19-trimethyl-11-methylidene-9-propyl-14,15-bis(triethylsilyloxy)-8,20-dioxabicyclo[15.2.1]icosan-7-one
CID 135021871
(1S,6S,9R,13R,14S,15S,17R,19S)-15-[tert-butyl(dimethyl)silyl]oxy-6,13,19-trimethyl-11-methylidene-9-propyl-14-triethylsilyloxy-8,20-dioxabicyclo[15.2.1]icosan-7-one
CID 135021872
4-(1-Hydroxy-3-methylbut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one
CID 72824326
5-(2-Methylidenecyclopentyl)-4-(3-methyl-1-trimethylsilyloxybut-3-enyl)oxolan-2-one
CID 72961771
5-(2-Methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one
CID 142668020
(3aS,6aS)-6-[2-(trimethylsilylmethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10562801
(4S,5S)-4-[(1R)-1-hydroxy-3-methylbut-3-enyl]-5-[(1R)-2-methylidenecyclopentyl]oxolan-2-one
CID 11379708
(3aS,4S,9aS,9bR)-6-methyl-4-triethylsilyloxy-3a,4,5,7,8,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
CID 11500964
(4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-3-methyl-1-triethylsilyloxybut-3-enyl]oxolan-2-one
CID 11667718
[(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate
CID 46855280
(4R,5R,7S,9S)-4-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-7,9-bis(ethenyl)-2-oxaspiro[4.4]nonan-1-one
CID 60201690

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one?
The IUPAC name of (4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one (CID 11438672) is (4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one.
What is the SMILES notation for (4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one?
The canonical SMILES for (4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one is C=C(C)C[C@@H](O[Si](C)(C)C)[C@@H]1CC(=O)O[C@H]1[C@@H]1CCCC1=C.
What is the InChIKey of (4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one?
The InChIKey is BYGIKVQUSDPPIR-HPFXQQBRSA-N. The full InChI is InChI=1S/C18H30O3Si/c1-12(2)10-16(21-22(4,5)6)15-11-17(19)20-18(15)14-9-7-8-13(14)3/h14-16,18H,1,3,7-11H2,2,4-6H3/t14-,15+,16-,18+/m1/s1.
What are the key properties of (4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one?
(4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one has a molecular weight of 322.52 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one is sourced from PubChem (CID 11438672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).