(3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal

C19H38O4Si — CID 175882115

IUPAC(3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal
SMILESCC(C)[Si](O[C@@H](CC=O)[C@@H](C)[C@H]1COC(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C19H38O4Si/c1-13(2)24(14(3)4,15(5)6)23-17(10-11-20)16(7)18-12-21-19(8,9)22-18/h11,13-18H,10,12H2,1-9H3/t16-,17+,18-/m1/s1
InChIKeyRHBZJYCQYKLIKA-FGTMMUONSA-N
MW358.60 g/mol
LogP4.92
Rot. Bonds9

About (3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal

(3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal (PubChem CID 175882115) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is (3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal.

Molecular Properties

Compound Name(3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal
PubChem CID175882115
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name(3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal
SMILESCC(C)[Si](O[C@@H](CC=O)[C@@H](C)[C@H]1COC(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C19H38O4Si/c1-13(2)24(14(3)4,15(5)6)23-17(10-11-20)16(7)18-12-21-19(8,9)22-18/h11,13-18H,10,12H2,1-9H3/t16-,17+,18-/m1/s1
InChIKeyRHBZJYCQYKLIKA-FGTMMUONSA-N
XLogP4.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal?
The IUPAC name of (3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal (CID 175882115) is (3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal.
What is the SMILES notation for (3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal?
The canonical SMILES for (3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal is CC(C)[Si](O[C@@H](CC=O)[C@@H](C)[C@H]1COC(C)(C)O1)(C(C)C)C(C)C.
What is the InChIKey of (3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal?
The InChIKey is RHBZJYCQYKLIKA-FGTMMUONSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-13(2)24(14(3)4,15(5)6)23-17(10-11-20)16(7)18-12-21-19(8,9)22-18/h11,13-18H,10,12H2,1-9H3/t16-,17+,18-/m1/s1.
What are the key properties of (3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal?
(3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal has a molecular weight of 358.60 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal is sourced from PubChem (CID 175882115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).