1-methyl-1-propylsilinan-4-ol

C9H20OSi — CID 139789228

IUPAC1-methyl-1-propylsilinan-4-ol
SMILESCCC[Si]1(C)CCC(O)CC1
InChIInChI=1S/C9H20OSi/c1-3-6-11(2)7-4-9(10)5-8-11/h9-10H,3-8H2,1-2H3
InChIKeyCHGBTPLVJQCJHH-UHFFFAOYSA-N
MW172.34 g/mol
LogP2.63
Rot. Bonds2

About 1-methyl-1-propylsilinan-4-ol

1-methyl-1-propylsilinan-4-ol (PubChem CID 139789228) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 1-methyl-1-propylsilinan-4-ol.

Molecular Properties

Compound Name1-methyl-1-propylsilinan-4-ol
PubChem CID139789228
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name1-methyl-1-propylsilinan-4-ol
SMILESCCC[Si]1(C)CCC(O)CC1
InChIInChI=1S/C9H20OSi/c1-3-6-11(2)7-4-9(10)5-8-11/h9-10H,3-8H2,1-2H3
InChIKeyCHGBTPLVJQCJHH-UHFFFAOYSA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 52.63
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

4-(Trimethylsilyl)-2-butanol
CID 12462784
(2R)-4-trimethylsilylbutan-2-ol
CID 642575
(3R,4S)-1,1,4-trimethylsilinan-3-ol
CID 11073706
(2R,3R)-3,4-bis(trimethylsilyl)butan-2-ol
CID 13530505
(2R,3R)-3-trimethylsilylbutan-2-ol
CID 162398836
(2S,3R)-3-trimethylsilylbutan-2-ol
CID 162398837
4-Trimethylsilyl-3-trimethylstannylbutan-2-ol
CID 21629278
1,1-Dimethylsilinan-4-ol
CID 15259857
3-(2,6-Dimethyloxasilinan-2-yl)propan-1-ol
CID 19372490
5-Trimethylsilylhexan-3-ol
CID 59938355
(2S)-4-trimethylsilylbutan-2-ol
CID 88647278
1,5-Bis(trimethylsilyl)pentan-3-ol
CID 89011045

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-propylsilinan-4-ol?
The IUPAC name of 1-methyl-1-propylsilinan-4-ol (CID 139789228) is 1-methyl-1-propylsilinan-4-ol.
What is the SMILES notation for 1-methyl-1-propylsilinan-4-ol?
The canonical SMILES for 1-methyl-1-propylsilinan-4-ol is CCC[Si]1(C)CCC(O)CC1.
What is the InChIKey of 1-methyl-1-propylsilinan-4-ol?
The InChIKey is CHGBTPLVJQCJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-3-6-11(2)7-4-9(10)5-8-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-methyl-1-propylsilinan-4-ol?
1-methyl-1-propylsilinan-4-ol has a molecular weight of 172.34 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-propylsilinan-4-ol is sourced from PubChem (CID 139789228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).