(E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal

C17H34O4Si — CID 134939181

IUPAC(E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal
SMILESCOCO[C@@](C)(/C=C/C=O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O4Si/c1-14(2)22(15(3)4,16(5)6)21-12-17(7,10-9-11-18)20-13-19-8/h9-11,14-16H,12-13H2,1-8H3/b10-9+/t17-/m0/s1
InChIKeyBVEFUYBHXUGNPL-FVNWOWOISA-N
MW330.54 g/mol
LogP4.31
Rot. Bonds11

About (E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal

(E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal (PubChem CID 134939181) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal.

Molecular Properties

Compound Name(E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal
PubChem CID134939181
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal
SMILESCOCO[C@@](C)(/C=C/C=O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O4Si/c1-14(2)22(15(3)4,16(5)6)21-12-17(7,10-9-11-18)20-13-19-8/h9-11,14-16H,12-13H2,1-8H3/b10-9+/t17-/m0/s1
InChIKeyBVEFUYBHXUGNPL-FVNWOWOISA-N
XLogP4.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4R,5S,E)-5-((tert-Butyldimethylsilyl)oxy)-4-((2-methoxyethoxy)methoxy)hex-2-enoic acid
CID 11002564
(E,4R)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal
CID 11484331
(2R)-2-[(E,3R)-3-(methoxymethoxy)-3-methyl-4-tri(propan-2-yl)silyloxybut-1-enyl]-2,3-dihydropyran-6-one
CID 101383048
ethyl (E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-enoate
CID 134842529
[(3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-yl] (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate
CID 135023648
(E)-3-[(4S,5S)-5-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal
CID 10019300
ethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate
CID 10316378
ethyl (2E,4S,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octa-2,6-dienoate
CID 10383792
ethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate
CID 10645731
ethyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate
CID 11164773
(2R)-2-[(1E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-3-methylhexa-1,5-dienyl]-2,3-dihydropyran-6-one
CID 11166221
(3R,5E)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hepta-1,5-dien-4-one
CID 11405218

Frequently Asked Questions

What is the IUPAC name of (E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal?
The IUPAC name of (E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal (CID 134939181) is (E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal.
What is the SMILES notation for (E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal?
The canonical SMILES for (E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal is COCO[C@@](C)(/C=C/C=O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal?
The InChIKey is BVEFUYBHXUGNPL-FVNWOWOISA-N. The full InChI is InChI=1S/C17H34O4Si/c1-14(2)22(15(3)4,16(5)6)21-12-17(7,10-9-11-18)20-13-19-8/h9-11,14-16H,12-13H2,1-8H3/b10-9+/t17-/m0/s1.
What are the key properties of (E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal?
(E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal has a molecular weight of 330.54 g/mol, XLogP of 4.31, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal is sourced from PubChem (CID 134939181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).