trans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid

C17H32O3Si — CID 11472452

IUPACtrans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid
SMILESC=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C17H32O3Si/c1-8-9-16(14-10-15(14)17(18)19)20-21(11(2)3,12(4)5)13(6)7/h8,11-16H,1,9-10H2,2-7H3,(H,18,19)/t14-,15-,16+/m1/s1
InChIKeyGSQKYIMBYHUYMU-OAGGEKHMSA-N
MW312.53 g/mol
LogP4.84
Rot. Bonds9

About trans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid (PubChem CID 11472452) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid
PubChem CID11472452
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nametrans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid
SMILESC=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C17H32O3Si/c1-8-9-16(14-10-15(14)17(18)19)20-21(11(2)3,12(4)5)13(6)7/h8,11-16H,1,9-10H2,2-7H3,(H,18,19)/t14-,15-,16+/m1/s1
InChIKeyGSQKYIMBYHUYMU-OAGGEKHMSA-N
XLogP4.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid (CID 11472452) is trans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid is C=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid?
The InChIKey is GSQKYIMBYHUYMU-OAGGEKHMSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-8-9-16(14-10-15(14)17(18)19)20-21(11(2)3,12(4)5)13(6)7/h8,11-16H,1,9-10H2,2-7H3,(H,18,19)/t14-,15-,16+/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid has a molecular weight of 312.53 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 11472452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).