(4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate

C10H22O6Si — CID 175195246

IUPAC(4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate
SMILESCOC(O)(CCCOC(C)=O)C([SiH3])(OC)OC
InChIInChI=1S/C10H22O6Si/c1-8(11)16-7-5-6-9(12,13-2)10(17,14-3)15-4/h12H,5-7H2,1-4,17H3
InChIKeyIKWBYKFCFUQFII-UHFFFAOYSA-N
MW266.37 g/mol
LogP-1.02
Rot. Bonds8

About (4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate

(4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate (PubChem CID 175195246) has the molecular formula C10H22O6Si and a molecular weight of 266.37 g/mol. Its IUPAC name is (4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate.

Molecular Properties

Compound Name(4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate
PubChem CID175195246
Molecular FormulaC10H22O6Si
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name(4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate
SMILESCOC(O)(CCCOC(C)=O)C([SiH3])(OC)OC
InChIInChI=1S/C10H22O6Si/c1-8(11)16-7-5-6-9(12,13-2)10(17,14-3)15-4/h12H,5-7H2,1-4,17H3
InChIKeyIKWBYKFCFUQFII-UHFFFAOYSA-N
XLogP-1.02
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4,4-dichloro-4-silylbutyl) acetate
CID 173246962
1,1,2-trimethoxy-5-(oxiran-2-ylmethoxy)-1-silylpentan-2-ol
CID 175163670
3-(4,4-dimethoxy-4-silylbutyl)sulfanylpropyl acetate
CID 173149088
4,4-diethylhexyl acetate
CID 150852527
11-acetyloxyundecyl acetate
CID 87784419
4,4-dimethylhexyl acetate
CID 90020632
(4-bromo-4,4-difluorobutyl) acetate
CID 19915379
methane;4-methoxybutyl acetate
CID 160669604
(4,4-dimethyl-7-oxooctyl) acetate
CID 11127631
(8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate
CID 118257803
acetic acid;(3-methoxy-3-methylbutyl) acetate
CID 162329695
2,2-bis(4-acetyloxybutyl)propanedioic acid
CID 122217541

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate?
The IUPAC name of (4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate (CID 175195246) is (4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate.
What is the SMILES notation for (4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate?
The canonical SMILES for (4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate is COC(O)(CCCOC(C)=O)C([SiH3])(OC)OC.
What is the InChIKey of (4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate?
The InChIKey is IKWBYKFCFUQFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O6Si/c1-8(11)16-7-5-6-9(12,13-2)10(17,14-3)15-4/h12H,5-7H2,1-4,17H3.
What are the key properties of (4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate?
(4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate has a molecular weight of 266.37 g/mol, XLogP of -1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate is sourced from PubChem (CID 175195246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).