(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde

C16H28O3Si — CID 10266602

IUPAC(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde
SMILESCCC1=C(C=O)[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H28O3Si/c1-7-12-8-9-15(14(11-18)13(12)10-17)19-20(5,6)16(2,3)4/h10-11,14-15H,7-9H2,1-6H3/t14-,15-/m0/s1
InChIKeyKPASJRKPJUQRHV-GJZGRUSLSA-N
MW296.48 g/mol
LogP3.89
Rot. Bonds5

About (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde

(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde (PubChem CID 10266602) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde.

Molecular Properties

Compound Name(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde
PubChem CID10266602
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde
SMILESCCC1=C(C=O)[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H28O3Si/c1-7-12-8-9-15(14(11-18)13(12)10-17)19-20(5,6)16(2,3)4/h10-11,14-15H,7-9H2,1-6H3/t14-,15-/m0/s1
InChIKeyKPASJRKPJUQRHV-GJZGRUSLSA-N
XLogP3.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.89
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

5-[Tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
CID 11022379
(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexene-1-carbaldehyde
CID 89472489
4-[2-Tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde
CID 91226156
3-[2-[Tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]-2-methylbut-2-enal
CID 139608745
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-propan-2-ylcyclohexene-1-carbaldehyde
CID 140798037
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde
CID 140847787
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-pentan-3-ylcyclohexene-1-carbaldehyde
CID 157169562
3-[Tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
CID 171450110
(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-propan-2-ylcyclohexene-1-carbaldehyde
CID 173685404
(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexene-1-carbaldehyde
CID 173739593
(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-octylcyclohex-2-ene-1,2-dicarbaldehyde
CID 9977091
(1S,6S)-3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde
CID 9996398

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde?
The IUPAC name of (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde (CID 10266602) is (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde.
What is the SMILES notation for (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde?
The canonical SMILES for (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde is CCC1=C(C=O)[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde?
The InChIKey is KPASJRKPJUQRHV-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-7-12-8-9-15(14(11-18)13(12)10-17)19-20(5,6)16(2,3)4/h10-11,14-15H,7-9H2,1-6H3/t14-,15-/m0/s1.
What are the key properties of (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde?
(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde has a molecular weight of 296.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde is sourced from PubChem (CID 10266602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).