1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol

C18H38O3Si — CID 71221216

IUPAC1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol
SMILESCCC(O)C[C@H]1OC(C)C[C@@H](O[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C18H38O3Si/c1-10-14(19)12-15-18(6,7)16(11-13(2)20-15)21-22(8,9)17(3,4)5/h13-16,19H,10-12H2,1-9H3/t13?,14?,15-,16-/m1/s1
InChIKeyKTGFIYQCEAMUSF-QDIHITRGSA-N
MW330.59 g/mol
LogP4.74
Rot. Bonds5

About 1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol

1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol (PubChem CID 71221216) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is 1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol.

Molecular Properties

Compound Name1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol
PubChem CID71221216
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Name1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol
SMILESCCC(O)C[C@H]1OC(C)C[C@@H](O[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C18H38O3Si/c1-10-14(19)12-15-18(6,7)16(11-13(2)20-15)21-22(8,9)17(3,4)5/h13-16,19H,10-12H2,1-9H3/t13?,14?,15-,16-/m1/s1
InChIKeyKTGFIYQCEAMUSF-QDIHITRGSA-N
XLogP4.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.59
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol 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 1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol?
The IUPAC name of 1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol (CID 71221216) is 1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol.
What is the SMILES notation for 1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol?
The canonical SMILES for 1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol is CCC(O)C[C@H]1OC(C)C[C@@H](O[Si](C)(C)C(C)(C)C)C1(C)C.
What is the InChIKey of 1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol?
The InChIKey is KTGFIYQCEAMUSF-QDIHITRGSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-10-14(19)12-15-18(6,7)16(11-13(2)20-15)21-22(8,9)17(3,4)5/h13-16,19H,10-12H2,1-9H3/t13?,14?,15-,16-/m1/s1.
What are the key properties of 1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol?
1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol has a molecular weight of 330.59 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,3,6-trimethyloxan-2-yl]butan-2-ol is sourced from PubChem (CID 71221216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).