prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate

C26H32O3Si — CID 102171832

IUPACprop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate
SMILESC=CCOC(=O)C1C=C1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H32O3Si/c1-5-18-28-25(27)24-20-21(24)13-12-19-29-30(26(2,3)4,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h5-11,14-17,20,24H,1,12-13,18-19H2,2-4H3
InChIKeyATVPMDHCKHICFX-UHFFFAOYSA-N
MW420.63 g/mol
LogP4.63
Rot. Bonds10

About prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate

prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate (PubChem CID 102171832) has the molecular formula C26H32O3Si and a molecular weight of 420.63 g/mol. Its IUPAC name is prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate
PubChem CID102171832
Molecular FormulaC26H32O3Si
Molecular Weight420.63 g/mol
Exact Mass420.21
IUPAC Nameprop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate
SMILESC=CCOC(=O)C1C=C1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H32O3Si/c1-5-18-28-25(27)24-20-21(24)13-12-19-29-30(26(2,3)4,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h5-11,14-17,20,24H,1,12-13,18-19H2,2-4H3
InChIKeyATVPMDHCKHICFX-UHFFFAOYSA-N
XLogP4.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.63
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate
CID 58842048
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate
CID 16663523
5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
CID 10665724
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate
CID 11388241
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
12-[tert-butyl(diphenyl)silyl]oxydodecyl 2-methoxyacetate
CID 10907379
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate?
The IUPAC name of prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate (CID 102171832) is prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate.
What is the SMILES notation for prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate?
The canonical SMILES for prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate is C=CCOC(=O)C1C=C1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate?
The InChIKey is ATVPMDHCKHICFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O3Si/c1-5-18-28-25(27)24-20-21(24)13-12-19-29-30(26(2,3)4,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h5-11,14-17,20,24H,1,12-13,18-19H2,2-4H3.
What are the key properties of prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate?
prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate has a molecular weight of 420.63 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 102171832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).