di(propan-2-yl)silyl 4-hydroxybutanoate

C10H22O3Si — CID 123209842

IUPACdi(propan-2-yl)silyl 4-hydroxybutanoate
SMILESCC(C)[SiH](OC(=O)CCCO)C(C)C
InChIInChI=1S/C10H22O3Si/c1-8(2)14(9(3)4)13-10(12)6-5-7-11/h8-9,11,14H,5-7H2,1-4H3
InChIKeyQGWQCNFATXFUOQ-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.85
Rot. Bonds6

About di(propan-2-yl)silyl 4-hydroxybutanoate

di(propan-2-yl)silyl 4-hydroxybutanoate (PubChem CID 123209842) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is di(propan-2-yl)silyl 4-hydroxybutanoate.

Molecular Properties

Compound Namedi(propan-2-yl)silyl 4-hydroxybutanoate
PubChem CID123209842
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Namedi(propan-2-yl)silyl 4-hydroxybutanoate
SMILESCC(C)[SiH](OC(=O)CCCO)C(C)C
InChIInChI=1S/C10H22O3Si/c1-8(2)14(9(3)4)13-10(12)6-5-7-11/h8-9,11,14H,5-7H2,1-4H3
InChIKeyQGWQCNFATXFUOQ-UHFFFAOYSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propanoyl 4-hydroxybutanoate
CID 88799917
bis(dimethylsilyl) pentanedioate
CID 173080734
1-hydroxy-8-methylnonan-4-one
CID 87402189
5-hydroxypentyl 5-methylhexanoate
CID 87401154
bis(6-hydroxyhexan-2-yl) hexanedioate
CID 57127239
1-hydroxypropan-2-yl 6-hydroxyhexanoate
CID 58519851
3-hydroxypropyl 4-methylpentanoate
CID 87401837
bis(4-hydroxybutanoyloxy)bismuthanyl 4-hydroxybutanoate
CID 141066458
tris(4-hydroxybutanoyloxy)methyl 4-hydroxybutanoate
CID 139267372
acetic acid;ethyl 4-hydroxybutanoate
CID 173148850
methyl 15-hydroxy-12-oxopentadecanoate
CID 18183464
cyclohexane;ethyl 4-hydroxybutanoate
CID 67158425

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)silyl 4-hydroxybutanoate?
The IUPAC name of di(propan-2-yl)silyl 4-hydroxybutanoate (CID 123209842) is di(propan-2-yl)silyl 4-hydroxybutanoate.
What is the SMILES notation for di(propan-2-yl)silyl 4-hydroxybutanoate?
The canonical SMILES for di(propan-2-yl)silyl 4-hydroxybutanoate is CC(C)[SiH](OC(=O)CCCO)C(C)C.
What is the InChIKey of di(propan-2-yl)silyl 4-hydroxybutanoate?
The InChIKey is QGWQCNFATXFUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-8(2)14(9(3)4)13-10(12)6-5-7-11/h8-9,11,14H,5-7H2,1-4H3.
What are the key properties of di(propan-2-yl)silyl 4-hydroxybutanoate?
di(propan-2-yl)silyl 4-hydroxybutanoate has a molecular weight of 218.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)silyl 4-hydroxybutanoate is sourced from PubChem (CID 123209842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).