silyl 2,2,4,4,5-pentamethylhexanoate

C11H24O2Si — CID 173390543

IUPACsilyl 2,2,4,4,5-pentamethylhexanoate
SMILESCC(C)C(C)(C)CC(C)(C)C(=O)O[SiH3]
InChIInChI=1S/C11H24O2Si/c1-8(2)10(3,4)7-11(5,6)9(12)13-14/h8H,7H2,1-6,14H3
InChIKeyTVQCTELUHVXHFV-UHFFFAOYSA-N
MW216.40 g/mol
LogP1.91
Rot. Bonds4

About silyl 2,2,4,4,5-pentamethylhexanoate

silyl 2,2,4,4,5-pentamethylhexanoate (PubChem CID 173390543) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is silyl 2,2,4,4,5-pentamethylhexanoate.

Molecular Properties

Compound Namesilyl 2,2,4,4,5-pentamethylhexanoate
PubChem CID173390543
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Namesilyl 2,2,4,4,5-pentamethylhexanoate
SMILESCC(C)C(C)(C)CC(C)(C)C(=O)O[SiH3]
InChIInChI=1S/C11H24O2Si/c1-8(2)10(3,4)7-11(5,6)9(12)13-14/h8H,7H2,1-6,14H3
InChIKeyTVQCTELUHVXHFV-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2,2,4,4,5-hexamethylhexanamide
CID 89008752
N-(2,4,4,5-tetramethylhexan-2-yl)acetamide
CID 142527857
ethyl 2-ethyl-2,4,4,5-tetramethylhexanoate;formaldehyde;propane
CID 144536218
silyl 2,2,5-trimethylhex-5-enoate
CID 173274643
silyl 2,2,3-trimethylhexanoate
CID 123494675
tert-butyl 2-ethyl-4,4-dimethyl-2-propan-2-ylpentanoate
CID 123297352
3-methylpentan-3-yl 2,2-dimethylbutanoate
CID 22895611
(2S)-2-amino-3-(2,4,4,5-tetramethylhexan-2-yloxy)propanoic acid
CID 178049603
decapropan-2-yl 1,1,3,5,7,9,11,13,15,17,19-undecamethylhenicosane-1,3,5,7,9,11,13,15,17,19-decacarboxylate
CID 130232997
(4-amino-2,4-dimethylpentan-2-yl) 2,2,4,4-tetramethylpentanoate
CID 129171605
[2,4-dimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentan-2-yl] 2,2,4,4-tetramethylpentanoate
CID 145316987
(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2-tert-butyl-2,4,4-trimethylpentanoate
CID 123364533

Frequently Asked Questions

What is the IUPAC name of silyl 2,2,4,4,5-pentamethylhexanoate?
The IUPAC name of silyl 2,2,4,4,5-pentamethylhexanoate (CID 173390543) is silyl 2,2,4,4,5-pentamethylhexanoate.
What is the SMILES notation for silyl 2,2,4,4,5-pentamethylhexanoate?
The canonical SMILES for silyl 2,2,4,4,5-pentamethylhexanoate is CC(C)C(C)(C)CC(C)(C)C(=O)O[SiH3].
What is the InChIKey of silyl 2,2,4,4,5-pentamethylhexanoate?
The InChIKey is TVQCTELUHVXHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-8(2)10(3,4)7-11(5,6)9(12)13-14/h8H,7H2,1-6,14H3.
What are the key properties of silyl 2,2,4,4,5-pentamethylhexanoate?
silyl 2,2,4,4,5-pentamethylhexanoate has a molecular weight of 216.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2,2,4,4,5-pentamethylhexanoate is sourced from PubChem (CID 173390543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).