(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal

C15H28O4Si — CID 10335003

IUPAC(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal
SMILESCC1(C)O[C@@H](/C=C/C=O)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H28O4Si/c1-14(2,3)20(6,7)17-11-13-12(9-8-10-16)18-15(4,5)19-13/h8-10,12-13H,11H2,1-7H3/b9-8+/t12-,13-/m0/s1
InChIKeyHZRSUYZUTCXIDL-TYDXBBDOSA-N
MW300.47 g/mol
LogP3.28
Rot. Bonds5

About (E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal

(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal (PubChem CID 10335003) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal
PubChem CID10335003
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal
SMILESCC1(C)O[C@@H](/C=C/C=O)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H28O4Si/c1-14(2,3)20(6,7)17-11-13-12(9-8-10-16)18-15(4,5)19-13/h8-10,12-13H,11H2,1-7H3/b9-8+/t12-,13-/m0/s1
InChIKeyHZRSUYZUTCXIDL-TYDXBBDOSA-N
XLogP3.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.28
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,3-dioxolan-4-yl]prop-2-enoate
CID 11416659
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,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-(methoxymethoxy)-3,4-dihydro-2H-oxepin-7-one
CID 101576211
(2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hepta-2,4-dienal
CID 134942562
ethyl (E)-3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135014566
[(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] methyl carbonate
CID 135014723
ethyl (E,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-triethylsilyloxybut-2-enoate
CID 135014806
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
2,2-Dimethyl-1,3-dioxolane-4-acrylic acid, 5-(2-t-butyldimethylsilyloxy)propyl-, methyl ester
CID 5368157
ethyl (E)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 10783676
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal
CID 10983376

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal?
The IUPAC name of (E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal (CID 10335003) is (E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal.
What is the SMILES notation for (E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal?
The canonical SMILES for (E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal is CC1(C)O[C@@H](/C=C/C=O)[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal?
The InChIKey is HZRSUYZUTCXIDL-TYDXBBDOSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-14(2,3)20(6,7)17-11-13-12(9-8-10-16)18-15(4,5)19-13/h8-10,12-13H,11H2,1-7H3/b9-8+/t12-,13-/m0/s1.
What are the key properties of (E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal?
(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal has a molecular weight of 300.47 g/mol, XLogP of 3.28, 5 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-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal is sourced from PubChem (CID 10335003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).