1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol

C26H36O4Si — CID 159943416

IUPAC1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol
SMILESCC(C)(C)[Si](OCC1(C=O)CC1)(c1ccccc1)c1ccccc1.OCC1(CO)CC1
InChIInChI=1S/C21H26O2Si.C5H10O2/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-17-21(16-22)14-15-21;6-3-5(4-7)1-2-5/h4-13,16H,14-15,17H2,1-3H3;6-7H,1-4H2
InChIKeyOBEHZCKKLSKUDQ-UHFFFAOYSA-N
MW440.66 g/mol
LogP3.29
Rot. Bonds8

About 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol

1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol (PubChem CID 159943416) has the molecular formula C26H36O4Si and a molecular weight of 440.66 g/mol. Its IUPAC name is 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol
PubChem CID159943416
Molecular FormulaC26H36O4Si
Molecular Weight440.66 g/mol
Exact Mass440.24
IUPAC Name1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol
SMILESCC(C)(C)[Si](OCC1(C=O)CC1)(c1ccccc1)c1ccccc1.OCC1(CO)CC1
InChIInChI=1S/C21H26O2Si.C5H10O2/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-17-21(16-22)14-15-21;6-3-5(4-7)1-2-5/h4-13,16H,14-15,17H2,1-3H3;6-7H,1-4H2
InChIKeyOBEHZCKKLSKUDQ-UHFFFAOYSA-N
XLogP3.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.66
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]cyclohexane-1-carbaldehyde
CID 58018780
tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
CID 140876888
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 68527039
(E)-3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-bicyclo[2.2.2]octanyl]prop-2-enoic acid
CID 160957767
3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
CID 125483258
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
[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
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105

Frequently Asked Questions

What is the IUPAC name of 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol?
The IUPAC name of 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol (CID 159943416) is 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol.
What is the SMILES notation for 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol?
The canonical SMILES for 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol is CC(C)(C)[Si](OCC1(C=O)CC1)(c1ccccc1)c1ccccc1.OCC1(CO)CC1.
What is the InChIKey of 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol?
The InChIKey is OBEHZCKKLSKUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2Si.C5H10O2/c1-20(2,3)24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-17-21(16-22)14-15-21;6-3-5(4-7)1-2-5/h4-13,16H,14-15,17H2,1-3H3;6-7H,1-4H2.
What are the key properties of 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol?
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol has a molecular weight of 440.66 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;[1-(hydroxymethyl)cyclopropyl]methanol is sourced from PubChem (CID 159943416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).