(2R,3S)-2-(cyclopenten-1-yl)-2-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]pent-4-enoic acid

C20H36O4Si — CID 100953379

IUPAC(2R,3S)-2-(cyclopenten-1-yl)-2-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]pent-4-enoic acid
SMILESC=C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@](O)(C(=O)O)C1=CCCC1
InChIInChI=1S/C20H36O4Si/c1-8-17(20(23,19(21)22)18-11-9-10-12-18)13-24-25(14(2)3,15(4)5)16(6)7/h8,11,14-17,23H,1,9-10,12-13H2,2-7H3,(H,21,22)/t17-,20+/m0/s1
InChIKeyCRBCSAGEPXGYCB-FXAWDEMLSA-N
MW368.59 g/mol
LogP4.91
Rot. Bonds10

About (2R,3S)-2-(cyclopenten-1-yl)-2-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]pent-4-enoic acid

(2R,3S)-2-(cyclopenten-1-yl)-2-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]pent-4-enoic acid (PubChem CID 100953379) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (2R,3S)-2-(cyclopenten-1-yl)-2-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]pent-4-enoic acid.

Molecular Properties

Compound Name(2R,3S)-2-(cyclopenten-1-yl)-2-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]pent-4-enoic acid
PubChem CID100953379
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name(2R,3S)-2-(cyclopenten-1-yl)-2-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]pent-4-enoic acid
SMILESC=C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@](O)(C(=O)O)C1=CCCC1
InChIInChI=1S/C20H36O4Si/c1-8-17(20(23,19(21)22)18-11-9-10-12-18)13-24-25(14(2)3,15(4)5)16(6)7/h8,11,14-17,23H,1,9-10,12-13H2,2-7H3,(H,21,22)/t17-,20+/m0/s1
InChIKeyCRBCSAGEPXGYCB-FXAWDEMLSA-N
XLogP4.91
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2R,3S)-2-(cyclopenten-1-yl)-2-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]pent-4-enoic acid?
The IUPAC name of (2R,3S)-2-(cyclopenten-1-yl)-2-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]pent-4-enoic acid (CID 100953379) is (2R,3S)-2-(cyclopenten-1-yl)-2-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]pent-4-enoic acid.
What is the SMILES notation for (2R,3S)-2-(cyclopenten-1-yl)-2-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]pent-4-enoic acid?
The canonical SMILES for (2R,3S)-2-(cyclopenten-1-yl)-2-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]pent-4-enoic acid is C=C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@](O)(C(=O)O)C1=CCCC1.
What is the InChIKey of (2R,3S)-2-(cyclopenten-1-yl)-2-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]pent-4-enoic acid?
The InChIKey is CRBCSAGEPXGYCB-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-8-17(20(23,19(21)22)18-11-9-10-12-18)13-24-25(14(2)3,15(4)5)16(6)7/h8,11,14-17,23H,1,9-10,12-13H2,2-7H3,(H,21,22)/t17-,20+/m0/s1.
What are the key properties of (2R,3S)-2-(cyclopenten-1-yl)-2-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]pent-4-enoic acid?
(2R,3S)-2-(cyclopenten-1-yl)-2-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]pent-4-enoic acid has a molecular weight of 368.59 g/mol, XLogP of 4.91, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(cyclopenten-1-yl)-2-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]pent-4-enoic acid is sourced from PubChem (CID 100953379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).