(3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal

C17H36O3Si — CID 101155907

IUPAC(3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal
SMILESCO[C@@H](CC=O)CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H36O3Si/c1-14(2)21(15(3)4,16(5)6)20-13-9-8-10-17(19-7)11-12-18/h12,14-17H,8-11,13H2,1-7H3/t17-/m1/s1
InChIKeyKUANCHREWDHXNV-QGZVFWFLSA-N
MW316.56 g/mol
LogP4.95
Rot. Bonds12

About (3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal

(3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal (PubChem CID 101155907) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is (3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal.

Molecular Properties

Compound Name(3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal
PubChem CID101155907
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name(3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal
SMILESCO[C@@H](CC=O)CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H36O3Si/c1-14(2)21(15(3)4,16(5)6)20-13-9-8-10-17(19-7)11-12-18/h12,14-17H,8-11,13H2,1-7H3/t17-/m1/s1
InChIKeyKUANCHREWDHXNV-QGZVFWFLSA-N
XLogP4.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal 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 (3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal?
The IUPAC name of (3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal (CID 101155907) is (3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal.
What is the SMILES notation for (3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal?
The canonical SMILES for (3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal is CO[C@@H](CC=O)CCCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal?
The InChIKey is KUANCHREWDHXNV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-14(2)21(15(3)4,16(5)6)20-13-9-8-10-17(19-7)11-12-18/h12,14-17H,8-11,13H2,1-7H3/t17-/m1/s1.
What are the key properties of (3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal?
(3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal has a molecular weight of 316.56 g/mol, XLogP of 4.95, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxy-7-tri(propan-2-yl)silyloxyheptanal is sourced from PubChem (CID 101155907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).