tri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate

C27H48O3Si2 — CID 155661267

IUPACtri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate
SMILESCC(C)[Si](OC(=O)C=Cc1cccc(O[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C
InChIInChI=1S/C27H48O3Si2/c1-19(2)31(20(3)4,21(5)6)29-26-15-13-14-25(18-26)16-17-27(28)30-32(22(7)8,23(9)10)24(11)12/h13-24H,1-12H3
InChIKeyRMAXGBOUSAECRX-UHFFFAOYSA-N
MW476.85 g/mol
LogP8.97
Rot. Bonds11

About tri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate

tri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate (PubChem CID 155661267) has the molecular formula C27H48O3Si2 and a molecular weight of 476.85 g/mol. Its IUPAC name is tri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate
PubChem CID155661267
Molecular FormulaC27H48O3Si2
Molecular Weight476.85 g/mol
Exact Mass476.31
IUPAC Nametri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate
SMILESCC(C)[Si](OC(=O)C=Cc1cccc(O[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C
InChIInChI=1S/C27H48O3Si2/c1-19(2)31(20(3)4,21(5)6)29-26-15-13-14-25(18-26)16-17-27(28)30-32(22(7)8,23(9)10)24(11)12/h13-24H,1-12H3
InChIKeyRMAXGBOUSAECRX-UHFFFAOYSA-N
XLogP8.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.85
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate
CID 11174213
bis[tri(propan-2-yl)silyl] but-2-enedioate
CID 123991340
butan-2-yl (E)-3-(3-butan-2-yloxyphenyl)prop-2-enoate
CID 130331829
[4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate
CID 140771666
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 10422431
2-[3-(2-carboxyethenyl)phenoxy]propanoic acid
CID 76914386
propan-2-yl 3-(3-propoxyphenyl)prop-2-enoate
CID 130331837
propyl 3-(3-butan-2-yloxyphenyl)prop-2-enoate
CID 140807788
4-methylpentan-2-yl (E)-3-(3-aminophenyl)prop-2-enoate
CID 113290477
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
[3-[(4E)-5-(3-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate
CID 5356079
[3-[(4E)-5-(3-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate
CID 5356080

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate?
The IUPAC name of tri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate (CID 155661267) is tri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate.
What is the SMILES notation for tri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate?
The canonical SMILES for tri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate is CC(C)[Si](OC(=O)C=Cc1cccc(O[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate?
The InChIKey is RMAXGBOUSAECRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O3Si2/c1-19(2)31(20(3)4,21(5)6)29-26-15-13-14-25(18-26)16-17-27(28)30-32(22(7)8,23(9)10)24(11)12/h13-24H,1-12H3.
What are the key properties of tri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate?
tri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate has a molecular weight of 476.85 g/mol, XLogP of 8.97, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate is sourced from PubChem (CID 155661267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).