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

C19H38O3Si2 — CID 15459946

IUPAC(3S,5R)-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-/m1/s1
InChIKeyKGCYADNNBZGVDM-IAGOWNOFSA-N
MW370.68 g/mol
LogP5.69
Rot. Bonds5

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

(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde (PubChem CID 15459946) has the molecular formula C19H38O3Si2 and a molecular weight of 370.68 g/mol. Its IUPAC name is (3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde
PubChem CID15459946
Molecular FormulaC19H38O3Si2
Molecular Weight370.68 g/mol
Exact Mass370.24
IUPAC Name(3S,5R)-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-/m1/s1
InChIKeyKGCYADNNBZGVDM-IAGOWNOFSA-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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Related Compounds

(6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde
CID 10358794
3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylcyclohexene-1-carbaldehyde
CID 13886708
4,5-Bis[[tert-butyl(dimethyl)silyl]oxy]cyclopentene-1-carbaldehyde
CID 19000580
3-[Tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde
CID 59262547
(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylidenecyclohexene-1-carbaldehyde
CID 89461057
methyl (3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexene-1-carboxylate
CID 89461111
(5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenecyclohexene-1-carbaldehyde
CID 89511233
(1E,6E)-7-tri(propan-2-yl)silyloxycycloundeca-1,6-diene-1-carbaldehyde
CID 90227800
4-[Tert-butyl(dimethyl)silyl]oxycyclohexene-1-carbaldehyde
CID 154052262
5-[Tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenecyclohexene-1-carbaldehyde
CID 173729897
Methyl 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexene-1-carboxylate
CID 173745721
methyl (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carboxylate
CID 10549019

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde?
The IUPAC name of (3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde (CID 15459946) is (3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde.
What is the SMILES notation for (3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde?
The canonical SMILES for (3S,5R)-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 (3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde?
The InChIKey is KGCYADNNBZGVDM-IAGOWNOFSA-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-/m1/s1.
What are the key properties of (3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde?
(3S,5R)-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 (3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexene-1-carbaldehyde is sourced from PubChem (CID 15459946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).