(5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one

C22H40O5Si2 — CID 11775046

IUPAC(5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one
SMILESC[C@H]1O[C@H](/C=C2\C=CC(=O)O2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40O5Si2/c1-15-19(26-28(8,9)21(2,3)4)20(27-29(10,11)22(5,6)7)17(24-15)14-16-12-13-18(23)25-16/h12-15,17,19-20H,1-11H3/b16-14+/t15-,17-,19+,20+/m1/s1
InChIKeyFUCCBHDAOWFZQI-LHATXPKSSA-N
MW440.73 g/mol
LogP5.55
Rot. Bonds5

About (5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one

(5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one (PubChem CID 11775046) has the molecular formula C22H40O5Si2 and a molecular weight of 440.73 g/mol. Its IUPAC name is (5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one.

Molecular Properties

Compound Name(5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one
PubChem CID11775046
Molecular FormulaC22H40O5Si2
Molecular Weight440.73 g/mol
Exact Mass440.24
IUPAC Name(5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one
SMILESC[C@H]1O[C@H](/C=C2\C=CC(=O)O2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40O5Si2/c1-15-19(26-28(8,9)21(2,3)4)20(27-29(10,11)22(5,6)7)17(24-15)14-16-12-13-18(23)25-16/h12-15,17,19-20H,1-11H3/b16-14+/t15-,17-,19+,20+/m1/s1
InChIKeyFUCCBHDAOWFZQI-LHATXPKSSA-N
XLogP5.55
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.73
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-8-[tert-butyl(dimethyl)silyl]oxy-24-methyl-14,16-bis(triethylsilyloxy)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 10974685
ethyl (2Z,4E,6R,7S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnona-2,4-dienoate
CID 11619467
ethyl (E)-3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135014566
ethyl (E)-4-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 138967963
ethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octa-2,4-dienoate
CID 139252223
methyl (E)-4-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 146166569
(3Z,6S,8S,9E,11E)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,10-dimethyl-1-oxacyclotrideca-3,9,11-trien-2-one
CID 166441855
2,2-Dimethyl-1,3-dioxolane-4-acrylic acid, 5-(2-t-butyldimethylsilyloxy)propyl-, methyl ester
CID 5368157
[(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate
CID 10917850
[(4R,5Z,7S)-7-[tert-butyl(dimethyl)silyl]oxy-7-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-4-yl] prop-2-enoate
CID 11398797
(2S)-2-[(1R,2R)-2-[(2S)-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one
CID 101029125
Butyl 3-[3,4,5-trimethoxy-3-methyl-4-[methyl-bis(trimethylsilyloxy)silyl]cyclohexa-1,5-dien-1-yl]prop-2-enoate
CID 68299417

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one?
The IUPAC name of (5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one (CID 11775046) is (5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one.
What is the SMILES notation for (5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one?
The canonical SMILES for (5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one is C[C@H]1O[C@H](/C=C2\C=CC(=O)O2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one?
The InChIKey is FUCCBHDAOWFZQI-LHATXPKSSA-N. The full InChI is InChI=1S/C22H40O5Si2/c1-15-19(26-28(8,9)21(2,3)4)20(27-29(10,11)22(5,6)7)17(24-15)14-16-12-13-18(23)25-16/h12-15,17,19-20H,1-11H3/b16-14+/t15-,17-,19+,20+/m1/s1.
What are the key properties of (5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one?
(5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one has a molecular weight of 440.73 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[(2R,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methylidene]furan-2-one is sourced from PubChem (CID 11775046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).