[(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

C20H38O5Si — CID 24938601

IUPAC[(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=C[C@H](CC(=O)O[C@H](C)CC[C@H](C=C)OCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O5Si/c1-10-17(23-15-22-7)13-12-16(3)24-19(21)14-18(11-2)25-26(8,9)20(4,5)6/h10-11,16-18H,1-2,12-15H2,3-9H3/t16-,17+,18-/m1/s1
InChIKeyOTSGKPROIWMQIX-FGTMMUONSA-N
MW386.61 g/mol
LogP4.84
Rot. Bonds13

About [(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

[(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (PubChem CID 24938601) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is [(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.

Molecular Properties

Compound Name[(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
PubChem CID24938601
Molecular FormulaC20H38O5Si
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Name[(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=C[C@H](CC(=O)O[C@H](C)CC[C@H](C=C)OCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O5Si/c1-10-17(23-15-22-7)13-12-16(3)24-19(21)14-18(11-2)25-26(8,9)20(4,5)6/h10-11,16-18H,1-2,12-15H2,3-9H3/t16-,17+,18-/m1/s1
InChIKeyOTSGKPROIWMQIX-FGTMMUONSA-N
XLogP4.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-[2-(Tert-butyldimethylsilanyloxy)ethyl]-2-(2-methoxyethoxymethoxy)but-3-enylester
CID 46894691
[(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 135022818
[(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 139261291
ethyl (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-3-(1-ethoxyethoxy)-5,9-dimethyldeca-4,8-dienoate
CID 10599344
prop-2-enyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanoate
CID 11013912
ethyl (Z)-6-ethoxycarbonyloxy-4-methyl-3-triethylsilyloxyhex-4-enoate
CID 11710543
[(2R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 44190403
[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 44556690
[(2R)-1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 49787937
[(2S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]undecan-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 66561943
[(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 71474718
[(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]undecan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 71517277

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The IUPAC name of [(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (CID 24938601) is [(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.
What is the SMILES notation for [(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The canonical SMILES for [(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is C=C[C@H](CC(=O)O[C@H](C)CC[C@H](C=C)OCOC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The InChIKey is OTSGKPROIWMQIX-FGTMMUONSA-N. The full InChI is InChI=1S/C20H38O5Si/c1-10-17(23-15-22-7)13-12-16(3)24-19(21)14-18(11-2)25-26(8,9)20(4,5)6/h10-11,16-18H,1-2,12-15H2,3-9H3/t16-,17+,18-/m1/s1.
What are the key properties of [(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
[(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate has a molecular weight of 386.61 g/mol, XLogP of 4.84, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is sourced from PubChem (CID 24938601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).