(Z)-3-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal

C17H32O4Si — CID 102395640

IUPAC(Z)-3-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](/C=C\C=O)OC(C)(C)O1
InChIInChI=1S/C17H32O4Si/c1-13(21-22(7,8)16(2,3)4)15-12-14(10-9-11-18)19-17(5,6)20-15/h9-11,13-15H,12H2,1-8H3/b10-9-/t13-,14+,15+/m0/s1
InChIKeyNAKACQBJZDBZFV-AKFUTXDLSA-N
MW328.53 g/mol
LogP4.06
Rot. Bonds5

About (Z)-3-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal

(Z)-3-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal (PubChem CID 102395640) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is (Z)-3-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal.

Molecular Properties

Compound Name(Z)-3-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal
PubChem CID102395640
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name(Z)-3-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](/C=C\C=O)OC(C)(C)O1
InChIInChI=1S/C17H32O4Si/c1-13(21-22(7,8)16(2,3)4)15-12-14(10-9-11-18)19-17(5,6)20-15/h9-11,13-15H,12H2,1-8H3/b10-9-/t13-,14+,15+/m0/s1
InChIKeyNAKACQBJZDBZFV-AKFUTXDLSA-N
XLogP4.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal?
The IUPAC name of (Z)-3-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal (CID 102395640) is (Z)-3-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal.
What is the SMILES notation for (Z)-3-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal?
The canonical SMILES for (Z)-3-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal is C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](/C=C\C=O)OC(C)(C)O1.
What is the InChIKey of (Z)-3-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal?
The InChIKey is NAKACQBJZDBZFV-AKFUTXDLSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-13(21-22(7,8)16(2,3)4)15-12-14(10-9-11-18)19-17(5,6)20-15/h9-11,13-15H,12H2,1-8H3/b10-9-/t13-,14+,15+/m0/s1.
What are the key properties of (Z)-3-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal?
(Z)-3-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal has a molecular weight of 328.53 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(4S,6R)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal is sourced from PubChem (CID 102395640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).