(2R,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol

C12H26O3Si — CID 70882785

IUPAC(2R,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol
SMILESCC(C)(CC[C@H]1OCCC[C@@H]1O)[Si](C)(C)O
InChIInChI=1S/C12H26O3Si/c1-12(2,16(3,4)14)8-7-11-10(13)6-5-9-15-11/h10-11,13-14H,5-9H2,1-4H3/t10-,11+/m0/s1
InChIKeyCMPQUZYVYMZGGN-WDEREUQCSA-N
MW246.42 g/mol
LogP2.28
Rot. Bonds4

About (2R,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol

(2R,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol (PubChem CID 70882785) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (2R,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol
PubChem CID70882785
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(2R,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol
SMILESCC(C)(CC[C@H]1OCCC[C@@H]1O)[Si](C)(C)O
InChIInChI=1S/C12H26O3Si/c1-12(2,16(3,4)14)8-7-11-10(13)6-5-9-15-11/h10-11,13-14H,5-9H2,1-4H3/t10-,11+/m0/s1
InChIKeyCMPQUZYVYMZGGN-WDEREUQCSA-N
XLogP2.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol?
The IUPAC name of (2R,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol (CID 70882785) is (2R,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol.
What is the SMILES notation for (2R,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol?
The canonical SMILES for (2R,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol is CC(C)(CC[C@H]1OCCC[C@@H]1O)[Si](C)(C)O.
What is the InChIKey of (2R,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol?
The InChIKey is CMPQUZYVYMZGGN-WDEREUQCSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-12(2,16(3,4)14)8-7-11-10(13)6-5-9-15-11/h10-11,13-14H,5-9H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of (2R,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol?
(2R,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol has a molecular weight of 246.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]oxan-3-ol is sourced from PubChem (CID 70882785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).