ethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate

C16H28O5Si — CID 131735088

IUPACethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate
SMILESCCOC(=O)/C=C1\CO[C@H]2[C@@H]1OC[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O5Si/c1-7-18-13(17)8-11-9-19-15-12(10-20-14(11)15)21-22(5,6)16(2,3)4/h8,12,14-15H,7,9-10H2,1-6H3/b11-8+/t12-,14-,15-/m1/s1
InChIKeyJZRFHEKXIWCXJN-HHJRUMOQSA-N
MW328.48 g/mol
LogP2.66
Rot. Bonds4

About ethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate

ethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate (PubChem CID 131735088) has the molecular formula C16H28O5Si and a molecular weight of 328.48 g/mol. Its IUPAC name is ethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate
PubChem CID131735088
Molecular FormulaC16H28O5Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Nameethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate
SMILESCCOC(=O)/C=C1\CO[C@H]2[C@@H]1OC[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O5Si/c1-7-18-13(17)8-11-9-19-15-12(10-20-14(11)15)21-22(5,6)16(2,3)4/h8,12,14-15H,7,9-10H2,1-6H3/b11-8+/t12-,14-,15-/m1/s1
InChIKeyJZRFHEKXIWCXJN-HHJRUMOQSA-N
XLogP2.66
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate 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

ethyl (2E,4E)-5-[(2R,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-ethoxy-2-oxoethylidene)oxan-2-yl]penta-2,4-dienoate
CID 15934810
ethyl (2E)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]acetate
CID 11080703
ethyl (2Z)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylidenecyclopentylidene]acetate
CID 101181778
ethyl (2Z)-2-[4-[tert-butyl(dimethyl)silyl]oxy-1-tritylpiperidin-3-ylidene]acetate
CID 68768815
ethyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 11587717
(4-methylphenyl)methyl (2E)-2-[(3S,3aS,6aR)-3-[(E)-3-(4-methylphenyl)prop-2-enyl]peroxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate
CID 91016261
ethyl 2-[(1R,4S,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]acetate
CID 102283467
ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate
CID 175199551
ethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate
CID 135057114
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-6-(oxiran-2-yl)hex-2-enoate
CID 138984022
ethyl 2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopentylidene]acetate
CID 67216895
methyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethylcyclohexylidene]acetate
CID 71605773

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate?
The IUPAC name of ethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate (CID 131735088) is ethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate is CCOC(=O)/C=C1\CO[C@H]2[C@@H]1OC[C@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate?
The InChIKey is JZRFHEKXIWCXJN-HHJRUMOQSA-N. The full InChI is InChI=1S/C16H28O5Si/c1-7-18-13(17)8-11-9-19-15-12(10-20-14(11)15)21-22(5,6)16(2,3)4/h8,12,14-15H,7,9-10H2,1-6H3/b11-8+/t12-,14-,15-/m1/s1.
What are the key properties of ethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate?
ethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate has a molecular weight of 328.48 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate is sourced from PubChem (CID 131735088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).