trans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde

C17H34O4Si — CID 10903645

IUPACtrans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde
SMILESCOCOCC[C@@]1(C=O)CC[C@H]1C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-14(21-22(6,7)16(2,3)4)15-8-9-17(15,12-18)10-11-20-13-19-5/h12,14-15H,8-11,13H2,1-7H3/t14?,15-,17+/m0/s1
InChIKeyKQNUJRPNDFULQC-IGGKNEPZSA-N
MW330.54 g/mol
LogP4.00
Rot. Bonds9

About trans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde

trans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde (PubChem CID 10903645) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is trans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde
PubChem CID10903645
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Nametrans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde
SMILESCOCOCC[C@@]1(C=O)CC[C@H]1C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-14(21-22(6,7)16(2,3)4)15-8-9-17(15,12-18)10-11-20-13-19-5/h12,14-15H,8-11,13H2,1-7H3/t14?,15-,17+/m0/s1
InChIKeyKQNUJRPNDFULQC-IGGKNEPZSA-N
XLogP4.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde?
The IUPAC name of trans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde (CID 10903645) is trans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde.
What is the SMILES notation for trans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde?
The canonical SMILES for trans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde is COCOCC[C@@]1(C=O)CC[C@H]1C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of trans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde?
The InChIKey is KQNUJRPNDFULQC-IGGKNEPZSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-14(21-22(6,7)16(2,3)4)15-8-9-17(15,12-18)10-11-20-13-19-5/h12,14-15H,8-11,13H2,1-7H3/t14?,15-,17+/m0/s1.
What are the key properties of trans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde?
trans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde has a molecular weight of 330.54 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbaldehyde is sourced from PubChem (CID 10903645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).