(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2H-furan-5-one

C23H40O5Si — CID 24807207

IUPAC(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2H-furan-5-one
SMILESCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C=C1[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C23H40O5Si/c1-7-8-12-18(28-29(5,6)22(2,3)4)21-17(15-20(24)26-21)19-16-25-23(27-19)13-10-9-11-14-23/h15,18-19,21H,7-14,16H2,1-6H3/t18-,19-,21-/m1/s1
InChIKeyRBHNWDAGCGOTDP-SFHLNBCPSA-N
MW424.65 g/mol
LogP5.49
Rot. Bonds7

About (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2H-furan-5-one

(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2H-furan-5-one (PubChem CID 24807207) has the molecular formula C23H40O5Si and a molecular weight of 424.65 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2H-furan-5-one
PubChem CID24807207
Molecular FormulaC23H40O5Si
Molecular Weight424.65 g/mol
Exact Mass424.26
IUPAC Name(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2H-furan-5-one
SMILESCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C=C1[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C23H40O5Si/c1-7-8-12-18(28-29(5,6)22(2,3)4)21-17(15-20(24)26-21)19-16-25-23(27-19)13-10-9-11-14-23/h15,18-19,21H,7-14,16H2,1-6H3/t18-,19-,21-/m1/s1
InChIKeyRBHNWDAGCGOTDP-SFHLNBCPSA-N
XLogP5.49
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.65
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(13Z)-7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradec-13-en-12-one
CID 11760087
ethyl (E)-3-[(4R,5S)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 44516071
(2E,5S,7S,8E,11S,13S,15R)-Ethyl 13-(tert-butyldimethylsilyloxy)-11,15-di(methoxymethoxy)-3-methyl-5,7-[(S)-methylmethylenedioxy]hexadeca-2,8-dienate
CID 56946978
(2E,5S,7S,8Z,11S,13S,15R)-Ethyl 13-(tert-butyldimethylsilyloxy)-11,15-di(methoxymethoxy)-3-methyl-5,7-[(S)-methylmethylenedioxy]hexadeca-2,8-dienate
CID 56946986
methyl (2Z)-2-[(2S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]-2,3-dihydropyran-4-ylidene]acetate
CID 101954341
methyl (2E)-2-[(2S,3S,6S)-3-acetyloxy-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]oxan-4-ylidene]acetate
CID 102401628
ethyl (E)-3-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)-5-triethoxysilylpent-2-enoate
CID 134832550
ethyl (2E)-2-[(4R)-4-[3-(2-hexyl-1,3-dioxolan-2-yl)propyl]-2,2-dimethyl-1,3-dioxan-5-ylidene]acetate
CID 134971658
(2R)-2-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-furan-5-one
CID 135012466
(2S)-2-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-furan-5-one
CID 135012467
ethyl (E)-3-[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135021497
ethyl (Z)-3-[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135024773

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2H-furan-5-one (CID 24807207) is (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2H-furan-5-one is CCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)C=C1[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2H-furan-5-one?
The InChIKey is RBHNWDAGCGOTDP-SFHLNBCPSA-N. The full InChI is InChI=1S/C23H40O5Si/c1-7-8-12-18(28-29(5,6)22(2,3)4)21-17(15-20(24)26-21)19-16-25-23(27-19)13-10-9-11-14-23/h15,18-19,21H,7-14,16H2,1-6H3/t18-,19-,21-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2H-furan-5-one?
(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2H-furan-5-one has a molecular weight of 424.65 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentyl]-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2H-furan-5-one is sourced from PubChem (CID 24807207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).