cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde

C23H30O2Si — CID 58018792

IUPACcis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
SMILESCC(C)(C)[Si](O[C@@H]1CCCC[C@H]1C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O2Si/c1-23(2,3)26(20-13-6-4-7-14-20,21-15-8-5-9-16-21)25-22-17-11-10-12-19(22)18-24/h4-9,13-16,18-19,22H,10-12,17H2,1-3H3/t19-,22+/m0/s1
InChIKeyLLRLBBRCRQRUDX-SIKLNZKXSA-N
MW366.58 g/mol
LogP4.32
Rot. Bonds5

About cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde

cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde (PubChem CID 58018792) has the molecular formula C23H30O2Si and a molecular weight of 366.58 g/mol. Its IUPAC name is cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
PubChem CID58018792
Molecular FormulaC23H30O2Si
Molecular Weight366.58 g/mol
Exact Mass366.20
IUPAC Namecis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
SMILESCC(C)(C)[Si](O[C@@H]1CCCC[C@H]1C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O2Si/c1-23(2,3)26(20-13-6-4-7-14-20,21-15-8-5-9-16-21)25-22-17-11-10-12-19(22)18-24/h4-9,13-16,18-19,22H,10-12,17H2,1-3H3/t19-,22+/m0/s1
InChIKeyLLRLBBRCRQRUDX-SIKLNZKXSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920543
2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920538
2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde
CID 171085570
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
CID 11462313
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
CID 10949681
[(1R,2S,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-formylcyclobutyl]methyl acetate
CID 23255964
2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
CID 86594888
(3aR,4R,7aS)-4-[tert-butyl(diphenyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
CID 11373147
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde?
The IUPAC name of cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde (CID 58018792) is cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde is CC(C)(C)[Si](O[C@@H]1CCCC[C@H]1C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde?
The InChIKey is LLRLBBRCRQRUDX-SIKLNZKXSA-N. The full InChI is InChI=1S/C23H30O2Si/c1-23(2,3)26(20-13-6-4-7-14-20,21-15-8-5-9-16-21)25-22-17-11-10-12-19(22)18-24/h4-9,13-16,18-19,22H,10-12,17H2,1-3H3/t19-,22+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde?
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde has a molecular weight of 366.58 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde is sourced from PubChem (CID 58018792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).