(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde

C19H38O3Si2 — CID 10571232

IUPAC(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H38O3Si2/c1-18(2,3)23(7,8)21-16-11-15(14-20)12-17(13-16)22-24(9,10)19(4,5)6/h11,14,16-17H,12-13H2,1-10H3/t16-,17-/m0/s1
InChIKeyKGCYADNNBZGVDM-IRXDYDNUSA-N
MW370.68 g/mol
LogP5.69
Rot. Bonds5

About (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde

(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde (PubChem CID 10571232) has the molecular formula C19H38O3Si2 and a molecular weight of 370.68 g/mol. Its IUPAC name is (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde
PubChem CID10571232
Molecular FormulaC19H38O3Si2
Molecular Weight370.68 g/mol
Exact Mass370.24
IUPAC Name(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H38O3Si2/c1-18(2,3)23(7,8)21-16-11-15(14-20)12-17(13-16)22-24(9,10)19(4,5)6/h11,14,16-17H,12-13H2,1-10H3/t16-,17-/m0/s1
InChIKeyKGCYADNNBZGVDM-IRXDYDNUSA-N
XLogP5.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.68
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde?
The IUPAC name of (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde (CID 10571232) is (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde.
What is the SMILES notation for (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde?
The canonical SMILES for (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde?
The InChIKey is KGCYADNNBZGVDM-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H38O3Si2/c1-18(2,3)23(7,8)21-16-11-15(14-20)12-17(13-16)22-24(9,10)19(4,5)6/h11,14,16-17H,12-13H2,1-10H3/t16-,17-/m0/s1.
What are the key properties of (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde?
(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde has a molecular weight of 370.68 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde is sourced from PubChem (CID 10571232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).