[(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate

C18H34O7Si — CID 10362991

IUPAC[(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate
SMILESCOCO[C@@H]1[C@@H](OCOC)C=C(CO[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)=O
InChIInChI=1S/C18H34O7Si/c1-13(19)25-16-14(10-24-26(7,8)18(2,3)4)9-15(22-11-20-5)17(16)23-12-21-6/h9,15-17H,10-12H2,1-8H3/t15-,16-,17+/m0/s1
InChIKeyFGQFLDZPMSHIQL-YESZJQIVSA-N
MW390.55 g/mol
LogP2.86
Rot. Bonds10

About [(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate

[(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate (PubChem CID 10362991) has the molecular formula C18H34O7Si and a molecular weight of 390.55 g/mol. Its IUPAC name is [(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate
PubChem CID10362991
Molecular FormulaC18H34O7Si
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name[(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate
SMILESCOCO[C@@H]1[C@@H](OCOC)C=C(CO[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)=O
InChIInChI=1S/C18H34O7Si/c1-13(19)25-16-14(10-24-26(7,8)18(2,3)4)9-15(22-11-20-5)17(16)23-12-21-6/h9,15-17H,10-12H2,1-8H3/t15-,16-,17+/m0/s1
InChIKeyFGQFLDZPMSHIQL-YESZJQIVSA-N
XLogP2.86
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1S,2R,3R,4E)-2-[tert-butyl(dimethyl)silyl]oxy-4-ethylidene-3-methoxycyclohexyl] acetate
CID 101857320
tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane
CID 134837047
(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
2,2-Dimethyl-1,3-dioxolane-4-acrylic acid, 5-(2-t-butyldimethylsilyloxy)propyl-, methyl ester
CID 5368157
[(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
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2E,4S)-4-acetyloxy-3,7-dimethylocta-2,6-dienoxy]oxan-2-yl]methyl acetate
CID 25068248
[(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
(1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one
CID 11212379
[(3S,4S,6R)-3,4,5-triacetyloxy-6-[(E)-2,4-dimethyl-7-triethoxysilylhept-2-enoxy]oxan-2-yl]methyl acetate
CID 57731092
tert-butyl-[2-[(4S,5S)-5-[(Z,4R)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 58750137
tert-butyl-[2-[(4S,5S)-5-[(Z)-1-methoxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 58750406

Frequently Asked Questions

What is the IUPAC name of [(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate (CID 10362991) is [(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate is COCO[C@@H]1[C@@H](OCOC)C=C(CO[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)=O.
What is the InChIKey of [(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate?
The InChIKey is FGQFLDZPMSHIQL-YESZJQIVSA-N. The full InChI is InChI=1S/C18H34O7Si/c1-13(19)25-16-14(10-24-26(7,8)18(2,3)4)9-15(22-11-20-5)17(16)23-12-21-6/h9,15-17H,10-12H2,1-8H3/t15-,16-,17+/m0/s1.
What are the key properties of [(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate?
[(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate has a molecular weight of 390.55 g/mol, XLogP of 2.86, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 10362991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).