(2R)-2-[(2R,3S)-4-(1,3-dioxolan-2-yl)-3-tri(propan-2-yl)silyloxybutan-2-yl]-3-methyl-2H-furan-5-one

C21H38O5Si — CID 10993004

IUPAC(2R)-2-[(2R,3S)-4-(1,3-dioxolan-2-yl)-3-tri(propan-2-yl)silyloxybutan-2-yl]-3-methyl-2H-furan-5-one
SMILESCC1=CC(=O)O[C@@H]1[C@@H](C)[C@H](CC1OCCO1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38O5Si/c1-13(2)27(14(3)4,15(5)6)26-18(12-20-23-9-10-24-20)17(8)21-16(7)11-19(22)25-21/h11,13-15,17-18,20-21H,9-10,12H2,1-8H3/t17-,18-,21-/m0/s1
InChIKeyCRDJUIOVLRKJJI-WFXMLNOXSA-N
MW398.62 g/mol
LogP4.82
Rot. Bonds9

About (2R)-2-[(2R,3S)-4-(1,3-dioxolan-2-yl)-3-tri(propan-2-yl)silyloxybutan-2-yl]-3-methyl-2H-furan-5-one

(2R)-2-[(2R,3S)-4-(1,3-dioxolan-2-yl)-3-tri(propan-2-yl)silyloxybutan-2-yl]-3-methyl-2H-furan-5-one (PubChem CID 10993004) has the molecular formula C21H38O5Si and a molecular weight of 398.62 g/mol. Its IUPAC name is (2R)-2-[(2R,3S)-4-(1,3-dioxolan-2-yl)-3-tri(propan-2-yl)silyloxybutan-2-yl]-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(2R,3S)-4-(1,3-dioxolan-2-yl)-3-tri(propan-2-yl)silyloxybutan-2-yl]-3-methyl-2H-furan-5-one
PubChem CID10993004
Molecular FormulaC21H38O5Si
Molecular Weight398.62 g/mol
Exact Mass398.25
IUPAC Name(2R)-2-[(2R,3S)-4-(1,3-dioxolan-2-yl)-3-tri(propan-2-yl)silyloxybutan-2-yl]-3-methyl-2H-furan-5-one
SMILESCC1=CC(=O)O[C@@H]1[C@@H](C)[C@H](CC1OCCO1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38O5Si/c1-13(2)27(14(3)4,15(5)6)26-18(12-20-23-9-10-24-20)17(8)21-16(7)11-19(22)25-21/h11,13-15,17-18,20-21H,9-10,12H2,1-8H3/t17-,18-,21-/m0/s1
InChIKeyCRDJUIOVLRKJJI-WFXMLNOXSA-N
XLogP4.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.62
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3S)-4-(1,3-dioxolan-2-yl)-3-tri(propan-2-yl)silyloxybutan-2-yl]-3-methyl-2H-furan-5-one?
The IUPAC name of (2R)-2-[(2R,3S)-4-(1,3-dioxolan-2-yl)-3-tri(propan-2-yl)silyloxybutan-2-yl]-3-methyl-2H-furan-5-one (CID 10993004) is (2R)-2-[(2R,3S)-4-(1,3-dioxolan-2-yl)-3-tri(propan-2-yl)silyloxybutan-2-yl]-3-methyl-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(2R,3S)-4-(1,3-dioxolan-2-yl)-3-tri(propan-2-yl)silyloxybutan-2-yl]-3-methyl-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(2R,3S)-4-(1,3-dioxolan-2-yl)-3-tri(propan-2-yl)silyloxybutan-2-yl]-3-methyl-2H-furan-5-one is CC1=CC(=O)O[C@@H]1[C@@H](C)[C@H](CC1OCCO1)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2R)-2-[(2R,3S)-4-(1,3-dioxolan-2-yl)-3-tri(propan-2-yl)silyloxybutan-2-yl]-3-methyl-2H-furan-5-one?
The InChIKey is CRDJUIOVLRKJJI-WFXMLNOXSA-N. The full InChI is InChI=1S/C21H38O5Si/c1-13(2)27(14(3)4,15(5)6)26-18(12-20-23-9-10-24-20)17(8)21-16(7)11-19(22)25-21/h11,13-15,17-18,20-21H,9-10,12H2,1-8H3/t17-,18-,21-/m0/s1.
What are the key properties of (2R)-2-[(2R,3S)-4-(1,3-dioxolan-2-yl)-3-tri(propan-2-yl)silyloxybutan-2-yl]-3-methyl-2H-furan-5-one?
(2R)-2-[(2R,3S)-4-(1,3-dioxolan-2-yl)-3-tri(propan-2-yl)silyloxybutan-2-yl]-3-methyl-2H-furan-5-one has a molecular weight of 398.62 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,3S)-4-(1,3-dioxolan-2-yl)-3-tri(propan-2-yl)silyloxybutan-2-yl]-3-methyl-2H-furan-5-one is sourced from PubChem (CID 10993004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).