(3R,6R,7R)-7-(hydroxymethyl)-2,2-dimethyl-6-trimethylsilyloxepane-3,6-diol

C12H26O4Si — CID 135037883

IUPAC(3R,6R,7R)-7-(hydroxymethyl)-2,2-dimethyl-6-trimethylsilyloxepane-3,6-diol
SMILESCC1(C)O[C@H](CO)[C@](O)([Si](C)(C)C)CC[C@H]1O
InChIInChI=1S/C12H26O4Si/c1-11(2)9(14)6-7-12(15,17(3,4)5)10(8-13)16-11/h9-10,13-15H,6-8H2,1-5H3/t9-,10-,12-/m1/s1
InChIKeyIMFCGYYMSQHPQM-CKYFFXLPSA-N
MW262.42 g/mol
LogP0.91
Rot. Bonds2

About (3R,6R,7R)-7-(hydroxymethyl)-2,2-dimethyl-6-trimethylsilyloxepane-3,6-diol

(3R,6R,7R)-7-(hydroxymethyl)-2,2-dimethyl-6-trimethylsilyloxepane-3,6-diol (PubChem CID 135037883) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is (3R,6R,7R)-7-(hydroxymethyl)-2,2-dimethyl-6-trimethylsilyloxepane-3,6-diol.

Molecular Properties

Compound Name(3R,6R,7R)-7-(hydroxymethyl)-2,2-dimethyl-6-trimethylsilyloxepane-3,6-diol
PubChem CID135037883
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Name(3R,6R,7R)-7-(hydroxymethyl)-2,2-dimethyl-6-trimethylsilyloxepane-3,6-diol
SMILESCC1(C)O[C@H](CO)[C@](O)([Si](C)(C)C)CC[C@H]1O
InChIInChI=1S/C12H26O4Si/c1-11(2)9(14)6-7-12(15,17(3,4)5)10(8-13)16-11/h9-10,13-15H,6-8H2,1-5H3/t9-,10-,12-/m1/s1
InChIKeyIMFCGYYMSQHPQM-CKYFFXLPSA-N
XLogP0.91
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (3R,6R,7R)-7-(hydroxymethyl)-2,2-dimethyl-6-trimethylsilyloxepane-3,6-diol?
The IUPAC name of (3R,6R,7R)-7-(hydroxymethyl)-2,2-dimethyl-6-trimethylsilyloxepane-3,6-diol (CID 135037883) is (3R,6R,7R)-7-(hydroxymethyl)-2,2-dimethyl-6-trimethylsilyloxepane-3,6-diol.
What is the SMILES notation for (3R,6R,7R)-7-(hydroxymethyl)-2,2-dimethyl-6-trimethylsilyloxepane-3,6-diol?
The canonical SMILES for (3R,6R,7R)-7-(hydroxymethyl)-2,2-dimethyl-6-trimethylsilyloxepane-3,6-diol is CC1(C)O[C@H](CO)[C@](O)([Si](C)(C)C)CC[C@H]1O.
What is the InChIKey of (3R,6R,7R)-7-(hydroxymethyl)-2,2-dimethyl-6-trimethylsilyloxepane-3,6-diol?
The InChIKey is IMFCGYYMSQHPQM-CKYFFXLPSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-11(2)9(14)6-7-12(15,17(3,4)5)10(8-13)16-11/h9-10,13-15H,6-8H2,1-5H3/t9-,10-,12-/m1/s1.
What are the key properties of (3R,6R,7R)-7-(hydroxymethyl)-2,2-dimethyl-6-trimethylsilyloxepane-3,6-diol?
(3R,6R,7R)-7-(hydroxymethyl)-2,2-dimethyl-6-trimethylsilyloxepane-3,6-diol has a molecular weight of 262.42 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R,7R)-7-(hydroxymethyl)-2,2-dimethyl-6-trimethylsilyloxepane-3,6-diol is sourced from PubChem (CID 135037883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).