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

C15H26O3Si — CID 10423926

IUPAC(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-ene-1,2-dicarbaldehyde
SMILESCC1=C(C=O)[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H26O3Si/c1-11-7-8-14(13(10-17)12(11)9-16)18-19(5,6)15(2,3)4/h9-10,13-14H,7-8H2,1-6H3/t13-,14-/m0/s1
InChIKeyWCTYSANPTYYCPN-KBPBESRZSA-N
MW282.46 g/mol
LogP3.50
Rot. Bonds4

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

(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-ene-1,2-dicarbaldehyde (PubChem CID 10423926) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-ene-1,2-dicarbaldehyde.

Molecular Properties

Compound Name(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-ene-1,2-dicarbaldehyde
PubChem CID10423926
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-ene-1,2-dicarbaldehyde
SMILESCC1=C(C=O)[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H26O3Si/c1-11-7-8-14(13(10-17)12(11)9-16)18-19(5,6)15(2,3)4/h9-10,13-14H,7-8H2,1-6H3/t13-,14-/m0/s1
InChIKeyWCTYSANPTYYCPN-KBPBESRZSA-N
XLogP3.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.50
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
(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
(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde
CID 10266602
(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-pentylcyclohex-2-ene-1,2-dicarbaldehyde
CID 10337236
(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-heptylcyclohex-2-ene-1,2-dicarbaldehyde
CID 10338930
(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde
CID 10423177
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
CID 10684339
6-[Tert-butyl(dimethyl)silyl]oxy-3-octylcyclohex-2-ene-1,2-dicarbaldehyde
CID 85080803
3-Butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde
CID 85087129
6-[Tert-butyl(dimethyl)silyl]oxy-3-pentylcyclohex-2-ene-1,2-dicarbaldehyde
CID 85114455
6-[Tert-butyl(dimethyl)silyl]oxy-3-heptylcyclohex-2-ene-1,2-dicarbaldehyde
CID 85114857

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-ene-1,2-dicarbaldehyde?
The IUPAC name of (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-ene-1,2-dicarbaldehyde (CID 10423926) is (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-ene-1,2-dicarbaldehyde.
What is the SMILES notation for (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-ene-1,2-dicarbaldehyde?
The canonical SMILES for (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-ene-1,2-dicarbaldehyde is CC1=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-methylcyclohex-2-ene-1,2-dicarbaldehyde?
The InChIKey is WCTYSANPTYYCPN-KBPBESRZSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-11-7-8-14(13(10-17)12(11)9-16)18-19(5,6)15(2,3)4/h9-10,13-14H,7-8H2,1-6H3/t13-,14-/m0/s1.
What are the key properties of (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-ene-1,2-dicarbaldehyde?
(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-ene-1,2-dicarbaldehyde has a molecular weight of 282.46 g/mol, XLogP of 3.50, 4 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-methylcyclohex-2-ene-1,2-dicarbaldehyde is sourced from PubChem (CID 10423926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).