3-[dicyclopropyl(silyl)methyl]pentan-3-ol

C12H24OSi — CID 173014191

IUPAC3-[dicyclopropyl(silyl)methyl]pentan-3-ol
SMILESCCC(O)(CC)C([SiH3])(C1CC1)C1CC1
InChIInChI=1S/C12H24OSi/c1-3-11(13,4-2)12(14,9-5-6-9)10-7-8-10/h9-10,13H,3-8H2,1-2,14H3
InChIKeyGOIJRFZXLOAHMS-UHFFFAOYSA-N
MW212.41 g/mol
LogP1.88
Rot. Bonds5

About 3-[dicyclopropyl(silyl)methyl]pentan-3-ol

3-[dicyclopropyl(silyl)methyl]pentan-3-ol (PubChem CID 173014191) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 3-[dicyclopropyl(silyl)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[dicyclopropyl(silyl)methyl]pentan-3-ol
PubChem CID173014191
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name3-[dicyclopropyl(silyl)methyl]pentan-3-ol
SMILESCCC(O)(CC)C([SiH3])(C1CC1)C1CC1
InChIInChI=1S/C12H24OSi/c1-3-11(13,4-2)12(14,9-5-6-9)10-7-8-10/h9-10,13H,3-8H2,1-2,14H3
InChIKeyGOIJRFZXLOAHMS-UHFFFAOYSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 51.88
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 3-[dicyclopropyl(silyl)methyl]pentan-3-ol?
The IUPAC name of 3-[dicyclopropyl(silyl)methyl]pentan-3-ol (CID 173014191) is 3-[dicyclopropyl(silyl)methyl]pentan-3-ol.
What is the SMILES notation for 3-[dicyclopropyl(silyl)methyl]pentan-3-ol?
The canonical SMILES for 3-[dicyclopropyl(silyl)methyl]pentan-3-ol is CCC(O)(CC)C([SiH3])(C1CC1)C1CC1.
What is the InChIKey of 3-[dicyclopropyl(silyl)methyl]pentan-3-ol?
The InChIKey is GOIJRFZXLOAHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-3-11(13,4-2)12(14,9-5-6-9)10-7-8-10/h9-10,13H,3-8H2,1-2,14H3.
What are the key properties of 3-[dicyclopropyl(silyl)methyl]pentan-3-ol?
3-[dicyclopropyl(silyl)methyl]pentan-3-ol has a molecular weight of 212.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dicyclopropyl(silyl)methyl]pentan-3-ol is sourced from PubChem (CID 173014191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).