1,1,4-trimethylsilinan-4-ol

C8H18OSi — CID 15422793

IUPAC1,1,4-trimethylsilinan-4-ol
SMILESCC1(O)CC[Si](C)(C)CC1
InChIInChI=1S/C8H18OSi/c1-8(9)4-6-10(2,3)7-5-8/h9H,4-7H2,1-3H3
InChIKeySTVMOKHONCOAEG-UHFFFAOYSA-N
MW158.32 g/mol
LogP2.24
Rot. Bonds

About 1,1,4-trimethylsilinan-4-ol

1,1,4-trimethylsilinan-4-ol (PubChem CID 15422793) has the molecular formula C8H18OSi and a molecular weight of 158.32 g/mol. Its IUPAC name is 1,1,4-trimethylsilinan-4-ol.

Molecular Properties

Compound Name1,1,4-trimethylsilinan-4-ol
PubChem CID15422793
Molecular FormulaC8H18OSi
Molecular Weight158.32 g/mol
Exact Mass158.11
IUPAC Name1,1,4-trimethylsilinan-4-ol
SMILESCC1(O)CC[Si](C)(C)CC1
InChIInChI=1S/C8H18OSi/c1-8(9)4-6-10(2,3)7-5-8/h9H,4-7H2,1-3H3
InChIKeySTVMOKHONCOAEG-UHFFFAOYSA-N
XLogP2.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,1,4-trimethylsilinan-4-ol?
The IUPAC name of 1,1,4-trimethylsilinan-4-ol (CID 15422793) is 1,1,4-trimethylsilinan-4-ol.
What is the SMILES notation for 1,1,4-trimethylsilinan-4-ol?
The canonical SMILES for 1,1,4-trimethylsilinan-4-ol is CC1(O)CC[Si](C)(C)CC1.
What is the InChIKey of 1,1,4-trimethylsilinan-4-ol?
The InChIKey is STVMOKHONCOAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OSi/c1-8(9)4-6-10(2,3)7-5-8/h9H,4-7H2,1-3H3.
What are the key properties of 1,1,4-trimethylsilinan-4-ol?
1,1,4-trimethylsilinan-4-ol has a molecular weight of 158.32 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4-trimethylsilinan-4-ol is sourced from PubChem (CID 15422793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).