4,4-dimethyl-1-trimethylsilylpentane-1,3-diol

C10H24O2Si — CID 86069072

IUPAC4,4-dimethyl-1-trimethylsilylpentane-1,3-diol
SMILESCC(C)(C)C(O)CC(O)[Si](C)(C)C
InChIInChI=1S/C10H24O2Si/c1-10(2,3)8(11)7-9(12)13(4,5)6/h8-9,11-12H,7H2,1-6H3
InChIKeyCUAOMYUOZRHCKR-UHFFFAOYSA-N
MW204.39 g/mol
LogP2.02
Rot. Bonds3

About 4,4-dimethyl-1-trimethylsilylpentane-1,3-diol

4,4-dimethyl-1-trimethylsilylpentane-1,3-diol (PubChem CID 86069072) has the molecular formula C10H24O2Si and a molecular weight of 204.39 g/mol. Its IUPAC name is 4,4-dimethyl-1-trimethylsilylpentane-1,3-diol.

Molecular Properties

Compound Name4,4-dimethyl-1-trimethylsilylpentane-1,3-diol
PubChem CID86069072
Molecular FormulaC10H24O2Si
Molecular Weight204.39 g/mol
Exact Mass204.15
IUPAC Name4,4-dimethyl-1-trimethylsilylpentane-1,3-diol
SMILESCC(C)(C)C(O)CC(O)[Si](C)(C)C
InChIInChI=1S/C10H24O2Si/c1-10(2,3)8(11)7-9(12)13(4,5)6/h8-9,11-12H,7H2,1-6H3
InChIKeyCUAOMYUOZRHCKR-UHFFFAOYSA-N
XLogP2.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4,4-dimethyl-1-trimethylsilylpentane-1,3-diol?
The IUPAC name of 4,4-dimethyl-1-trimethylsilylpentane-1,3-diol (CID 86069072) is 4,4-dimethyl-1-trimethylsilylpentane-1,3-diol.
What is the SMILES notation for 4,4-dimethyl-1-trimethylsilylpentane-1,3-diol?
The canonical SMILES for 4,4-dimethyl-1-trimethylsilylpentane-1,3-diol is CC(C)(C)C(O)CC(O)[Si](C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-trimethylsilylpentane-1,3-diol?
The InChIKey is CUAOMYUOZRHCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O2Si/c1-10(2,3)8(11)7-9(12)13(4,5)6/h8-9,11-12H,7H2,1-6H3.
What are the key properties of 4,4-dimethyl-1-trimethylsilylpentane-1,3-diol?
4,4-dimethyl-1-trimethylsilylpentane-1,3-diol has a molecular weight of 204.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-trimethylsilylpentane-1,3-diol is sourced from PubChem (CID 86069072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).