acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol

C15H34O4Si — CID 71401033

IUPACacetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol
SMILESCC(=O)O.CC(CCCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O2Si.C2H4O2/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4;1-2(3)4/h12,14H,7-11H2,1-6H3;1H3,(H,3,4)
InChIKeyIWPFBAWPUMUXPE-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.04
Rot. Bonds7

About acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol

acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol (PubChem CID 71401033) has the molecular formula C15H34O4Si and a molecular weight of 306.52 g/mol. Its IUPAC name is acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol.

Molecular Properties

Compound Nameacetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol
PubChem CID71401033
Molecular FormulaC15H34O4Si
Molecular Weight306.52 g/mol
Exact Mass306.22
IUPAC Nameacetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol
SMILESCC(=O)O.CC(CCCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O2Si.C2H4O2/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4;1-2(3)4/h12,14H,7-11H2,1-6H3;1H3,(H,3,4)
InChIKeyIWPFBAWPUMUXPE-UHFFFAOYSA-N
XLogP4.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R,8R)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol
CID 101258816
(5R,8S)-8-[tert-butyl(dimethyl)silyl]oxynonane-1,5-diol
CID 101258818
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undecan-6-one
CID 10598768
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
[(2R)-7-bromoheptan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11023281
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
(7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-dimethylphosphoryloctan-2-one
CID 159432713
(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one
CID 10634857
(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-2,4,6-trimethyldecan-3-one
CID 11067932
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one
CID 10633359

Frequently Asked Questions

What is the IUPAC name of acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol?
The IUPAC name of acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol (CID 71401033) is acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol.
What is the SMILES notation for acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol?
The canonical SMILES for acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol is CC(=O)O.CC(CCCCCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol?
The InChIKey is IWPFBAWPUMUXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O2Si.C2H4O2/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4;1-2(3)4/h12,14H,7-11H2,1-6H3;1H3,(H,3,4).
What are the key properties of acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol?
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol has a molecular weight of 306.52 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol is sourced from PubChem (CID 71401033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).