1,1-dimethylsilinan-4-ol

C7H16OSi — CID 15259857

IUPAC1,1-dimethylsilinan-4-ol
SMILESC[Si]1(C)CCC(O)CC1
InChIInChI=1S/C7H16OSi/c1-9(2)5-3-7(8)4-6-9/h7-8H,3-6H2,1-2H3
InChIKeyJITLBQOCPCNQPV-UHFFFAOYSA-N
MW144.29 g/mol
LogP1.85
Rot. Bonds

About 1,1-dimethylsilinan-4-ol

1,1-dimethylsilinan-4-ol (PubChem CID 15259857) has the molecular formula C7H16OSi and a molecular weight of 144.29 g/mol. Its IUPAC name is 1,1-dimethylsilinan-4-ol.

Molecular Properties

Compound Name1,1-dimethylsilinan-4-ol
PubChem CID15259857
Molecular FormulaC7H16OSi
Molecular Weight144.29 g/mol
Exact Mass144.10
IUPAC Name1,1-dimethylsilinan-4-ol
SMILESC[Si]1(C)CCC(O)CC1
InChIInChI=1S/C7H16OSi/c1-9(2)5-3-7(8)4-6-9/h7-8H,3-6H2,1-2H3
InChIKeyJITLBQOCPCNQPV-UHFFFAOYSA-N
XLogP1.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-Trimethylsilyl-2-propanol
CID 193529
4-(Trimethylsilyl)-2-butanol
CID 12462784
(r)-1-Trimethylsilyl-2-propanol
CID 642569
(2R)-4-trimethylsilylbutan-2-ol
CID 642575
Rac-1,1-dimethyl-1-sila-cyclohexan-2-ol
CID 14691081
(r)-1,1-Dimethyl-1-sila-cyclohexan-2-ol
CID 14691082
(s)-1,1-Dimethyl-1-sila-cyclohexan-2-ol
CID 129699782
(2R,3R)-3-trimethylsilylbutan-2-ol
CID 162398836
(2S,3R)-3-trimethylsilylbutan-2-ol
CID 162398837
3-(2,6-Dimethyloxasilinan-2-yl)propan-1-ol
CID 19372490
CID 23571786
CID 23571786
(2S)-1-trimethylsilylpropan-2-ol
CID 60044890

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylsilinan-4-ol?
The IUPAC name of 1,1-dimethylsilinan-4-ol (CID 15259857) is 1,1-dimethylsilinan-4-ol.
What is the SMILES notation for 1,1-dimethylsilinan-4-ol?
The canonical SMILES for 1,1-dimethylsilinan-4-ol is C[Si]1(C)CCC(O)CC1.
What is the InChIKey of 1,1-dimethylsilinan-4-ol?
The InChIKey is JITLBQOCPCNQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OSi/c1-9(2)5-3-7(8)4-6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,1-dimethylsilinan-4-ol?
1,1-dimethylsilinan-4-ol has a molecular weight of 144.29 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylsilinan-4-ol is sourced from PubChem (CID 15259857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).