2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid

C22H28O3Si — CID 146157316

IUPAC2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
SMILESCC(C)(C)[Si](OCC1CC1CC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O3Si/c1-22(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-16-18-14-17(18)15-21(23)24/h4-13,17-18H,14-16H2,1-3H3,(H,23,24)
InChIKeyJRATUHBITGAWHJ-UHFFFAOYSA-N
MW368.55 g/mol
LogP3.67
Rot. Bonds7

About 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid

2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid (PubChem CID 146157316) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
PubChem CID146157316
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Name2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
SMILESCC(C)(C)[Si](OCC1CC1CC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O3Si/c1-22(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-16-18-14-17(18)15-21(23)24/h4-13,17-18H,14-16H2,1-3H3,(H,23,24)
InChIKeyJRATUHBITGAWHJ-UHFFFAOYSA-N
XLogP3.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
cis-ethyl (1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carboxylate
CID 131735737
tert-butyl 5-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pentanoate
CID 166524601
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920543
2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920538
[(1R,2R)-2-(azidomethyl)cyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 10021768
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
trans-methyl (2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxycyclopentane-1-carboxylate
CID 140825988

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid (CID 146157316) is 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid is CC(C)(C)[Si](OCC1CC1CC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid?
The InChIKey is JRATUHBITGAWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O3Si/c1-22(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-16-18-14-17(18)15-21(23)24/h4-13,17-18H,14-16H2,1-3H3,(H,23,24).
What are the key properties of 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid?
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid has a molecular weight of 368.55 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 146157316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).