1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde

C24H32O2Si — CID 58018780

IUPAC1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
SMILESCC(C)(C)[Si](OCC1(C=O)CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O2Si/c1-23(2,3)27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)26-20-24(19-25)17-11-6-12-18-24/h4-5,7-10,13-16,19H,6,11-12,17-18,20H2,1-3H3
InChIKeySPZRSNIZPLIUOE-UHFFFAOYSA-N
MW380.60 g/mol
LogP4.71
Rot. Bonds6

About 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde

1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde (PubChem CID 58018780) has the molecular formula C24H32O2Si and a molecular weight of 380.60 g/mol. Its IUPAC name is 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
PubChem CID58018780
Molecular FormulaC24H32O2Si
Molecular Weight380.60 g/mol
Exact Mass380.22
IUPAC Name1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
SMILESCC(C)(C)[Si](OCC1(C=O)CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O2Si/c1-23(2,3)27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)26-20-24(19-25)17-11-6-12-18-24/h4-5,7-10,13-16,19H,6,11-12,17-18,20H2,1-3H3
InChIKeySPZRSNIZPLIUOE-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.60
LogP ≤ 54.71
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

1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol
CID 159943416
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
CID 140876888
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
(E)-3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-bicyclo[2.2.2]octanyl]prop-2-enoic acid
CID 160957767
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dichloromethyl)oxolan-2-one
CID 11362619
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
[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate
CID 91395092
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-5-methylcyclohex-2-en-1-one
CID 140892968
methyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylate
CID 142526845

Frequently Asked Questions

What is the IUPAC name of 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde (CID 58018780) is 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde is CC(C)(C)[Si](OCC1(C=O)CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde?
The InChIKey is SPZRSNIZPLIUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O2Si/c1-23(2,3)27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)26-20-24(19-25)17-11-6-12-18-24/h4-5,7-10,13-16,19H,6,11-12,17-18,20H2,1-3H3.
What are the key properties of 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde?
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde has a molecular weight of 380.60 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 58018780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).