2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol

C12H30O4Si2 — CID 123497948

IUPAC2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol
SMILESC[SiH2]OC(O[SiH2]C)C(C)(C)CCC(O)C(C)(C)O
InChIInChI=1S/C12H30O4Si2/c1-11(2,10(15-17-5)16-18-6)8-7-9(13)12(3,4)14/h9-10,13-14H,7-8,17-18H2,1-6H3
InChIKeySTTFJIFHPKOLFC-UHFFFAOYSA-N
MW294.54 g/mol
LogP0.55
Rot. Bonds9

About 2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol

2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol (PubChem CID 123497948) has the molecular formula C12H30O4Si2 and a molecular weight of 294.54 g/mol. Its IUPAC name is 2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol.

Molecular Properties

Compound Name2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol
PubChem CID123497948
Molecular FormulaC12H30O4Si2
Molecular Weight294.54 g/mol
Exact Mass294.17
IUPAC Name2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol
SMILESC[SiH2]OC(O[SiH2]C)C(C)(C)CCC(O)C(C)(C)O
InChIInChI=1S/C12H30O4Si2/c1-11(2,10(15-17-5)16-18-6)8-7-9(13)12(3,4)14/h9-10,13-14H,7-8,17-18H2,1-6H3
InChIKeySTTFJIFHPKOLFC-UHFFFAOYSA-N
XLogP0.55
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.54
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol with MolForge

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

Launch Full Analysis

Related Compounds

2,2,6,6-Tetramethyl-1,1,7,7-tetrakis(methylsilyloxy)heptan-4-ol
CID 123149113
(3S)-2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol
CID 173483584

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol?
The IUPAC name of 2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol (CID 123497948) is 2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol.
What is the SMILES notation for 2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol?
The canonical SMILES for 2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol is C[SiH2]OC(O[SiH2]C)C(C)(C)CCC(O)C(C)(C)O.
What is the InChIKey of 2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol?
The InChIKey is STTFJIFHPKOLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30O4Si2/c1-11(2,10(15-17-5)16-18-6)8-7-9(13)12(3,4)14/h9-10,13-14H,7-8,17-18H2,1-6H3.
What are the key properties of 2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol?
2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol has a molecular weight of 294.54 g/mol, XLogP of 0.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-7,7-bis(methylsilyloxy)heptane-2,3-diol is sourced from PubChem (CID 123497948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).