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

C19H34O3Si — CID 10337236

IUPAC(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-pentylcyclohex-2-ene-1,2-dicarbaldehyde
SMILESCCCCCC1=C(C=O)[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C19H34O3Si/c1-7-8-9-10-15-11-12-18(17(14-21)16(15)13-20)22-23(5,6)19(2,3)4/h13-14,17-18H,7-12H2,1-6H3/t17-,18-/m0/s1
InChIKeyFGMQZPCQDCZSID-ROUUACIJSA-N
MW338.56 g/mol
LogP5.06
Rot. Bonds8

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

(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-pentylcyclohex-2-ene-1,2-dicarbaldehyde (PubChem CID 10337236) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-pentylcyclohex-2-ene-1,2-dicarbaldehyde.

Molecular Properties

Compound Name(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-pentylcyclohex-2-ene-1,2-dicarbaldehyde
PubChem CID10337236
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Name(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-pentylcyclohex-2-ene-1,2-dicarbaldehyde
SMILESCCCCCC1=C(C=O)[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C19H34O3Si/c1-7-8-9-10-15-11-12-18(17(14-21)16(15)13-20)22-23(5,6)19(2,3)4/h13-14,17-18H,7-12H2,1-6H3/t17-,18-/m0/s1
InChIKeyFGMQZPCQDCZSID-ROUUACIJSA-N
XLogP5.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

5-[Tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
CID 11022379
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-pentan-3-ylcyclohexene-1-carbaldehyde
CID 157169562
(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-propan-2-ylcyclohexene-1-carbaldehyde
CID 173685404
(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-heptylcyclohex-2-ene-1,2-dicarbaldehyde
CID 10338930
(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-ene-1,2-dicarbaldehyde
CID 10423926
2-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]acetaldehyde
CID 10590064

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-pentylcyclohex-2-ene-1,2-dicarbaldehyde?
The IUPAC name of (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-pentylcyclohex-2-ene-1,2-dicarbaldehyde (CID 10337236) is (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-pentylcyclohex-2-ene-1,2-dicarbaldehyde.
What is the SMILES notation for (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-pentylcyclohex-2-ene-1,2-dicarbaldehyde?
The canonical SMILES for (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-pentylcyclohex-2-ene-1,2-dicarbaldehyde is CCCCCC1=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-pentylcyclohex-2-ene-1,2-dicarbaldehyde?
The InChIKey is FGMQZPCQDCZSID-ROUUACIJSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-7-8-9-10-15-11-12-18(17(14-21)16(15)13-20)22-23(5,6)19(2,3)4/h13-14,17-18H,7-12H2,1-6H3/t17-,18-/m0/s1.
What are the key properties of (1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-pentylcyclohex-2-ene-1,2-dicarbaldehyde?
(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-pentylcyclohex-2-ene-1,2-dicarbaldehyde has a molecular weight of 338.56 g/mol, XLogP of 5.06, 8 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-pentylcyclohex-2-ene-1,2-dicarbaldehyde is sourced from PubChem (CID 10337236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).