ethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate

C18H32O6Si — CID 10499560

IUPACethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate
SMILESCCOC(=O)/C=C1/[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O6Si/c1-9-20-14(19)10-12-13(11-21-25(7,8)17(2,3)4)22-16-15(12)23-18(5,6)24-16/h10,13,15-16H,9,11H2,1-8H3/b12-10+/t13-,15-,16-/m1/s1
InChIKeyBRUZCUVBOFKNNM-BRZLJRRRSA-N
MW372.53 g/mol
LogP3.37
Rot. Bonds5

About ethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate

ethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate (PubChem CID 10499560) has the molecular formula C18H32O6Si and a molecular weight of 372.53 g/mol. Its IUPAC name is ethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate
PubChem CID10499560
Molecular FormulaC18H32O6Si
Molecular Weight372.53 g/mol
Exact Mass372.20
IUPAC Nameethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate
SMILESCCOC(=O)/C=C1/[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O6Si/c1-9-20-14(19)10-12-13(11-21-25(7,8)17(2,3)4)22-16-15(12)23-18(5,6)24-16/h10,13,15-16H,9,11H2,1-8H3/b12-10+/t13-,15-,16-/m1/s1
InChIKeyBRUZCUVBOFKNNM-BRZLJRRRSA-N
XLogP3.37
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate with MolForge

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Related Compounds

(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
methyl (E)-3-[(3aR,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoate
CID 135067287
[(3aR,6S,6aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl] acetate
CID 10642029
3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-furan-5-one
CID 10496540
3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one
CID 10592403
methyl (Z)-3-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 10599429
ethyl (Z)-3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
CID 11026117
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal
CID 11112155
ethyl 3,3-bis[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11142837
methyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate
CID 11164220
ethyl (E)-3-[(3aS,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoate
CID 11383617

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate?
The IUPAC name of ethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate (CID 10499560) is ethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate is CCOC(=O)/C=C1/[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate?
The InChIKey is BRUZCUVBOFKNNM-BRZLJRRRSA-N. The full InChI is InChI=1S/C18H32O6Si/c1-9-20-14(19)10-12-13(11-21-25(7,8)17(2,3)4)22-16-15(12)23-18(5,6)24-16/h10,13,15-16H,9,11H2,1-8H3/b12-10+/t13-,15-,16-/m1/s1.
What are the key properties of ethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate?
ethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate has a molecular weight of 372.53 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(3aR,5S,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate is sourced from PubChem (CID 10499560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).