(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

C17H30O4Si — CID 10019300

IUPAC(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
SMILESCC1(C)O[C@@H](/C=C/C=O)[C@H](/C=C/CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H30O4Si/c1-16(2,3)22(6,7)19-13-9-11-15-14(10-8-12-18)20-17(4,5)21-15/h8-12,14-15H,13H2,1-7H3/b10-8+,11-9+/t14-,15-/m0/s1
InChIKeyHIVIXNQHDAJKSQ-XPMMAPTCSA-N
MW326.51 g/mol
LogP3.84
Rot. Bonds6

About (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

(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 (PubChem CID 10019300) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10019300
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Name(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
SMILESCC1(C)O[C@@H](/C=C/C=O)[C@H](/C=C/CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H30O4Si/c1-16(2,3)22(6,7)19-13-9-11-15-14(10-8-12-18)20-17(4,5)21-15/h8-12,14-15H,13H2,1-7H3/b10-8+,11-9+/t14-,15-/m0/s1
InChIKeyHIVIXNQHDAJKSQ-XPMMAPTCSA-N
XLogP3.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.84
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Related Compounds

(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal
CID 10335003
ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,3-dioxolan-4-yl]prop-2-enoate
CID 11416659
(E,4R)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal
CID 11484331
ethyl (E)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11727653
(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
(E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal
CID 134939181
(2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hepta-2,4-dienal
CID 134942562
ethyl (E,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-triethylsilyloxybut-2-enoate
CID 135014806
[(3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-yl] (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate
CID 135023648
ethyl (E)-4-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 138967963
methyl (E)-4-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 146166569

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)O[C@@H](/C=C/C=O)[C@H](/C=C/CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (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?
The InChIKey is HIVIXNQHDAJKSQ-XPMMAPTCSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-16(2,3)22(6,7)19-13-9-11-15-14(10-8-12-18)20-17(4,5)21-15/h8-12,14-15H,13H2,1-7H3/b10-8+,11-9+/t14-,15-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 326.51 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10019300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).