silyl 2,2,5-trimethylhex-5-enoate

C9H18O2Si — CID 173274643

IUPACsilyl 2,2,5-trimethylhex-5-enoate
SMILESC=C(C)CCC(C)(C)C(=O)O[SiH3]
InChIInChI=1S/C9H18O2Si/c1-7(2)5-6-9(3,4)8(10)11-12/h1,5-6H2,2-4,12H3
InChIKeyJJYOXAQGGCDIAX-UHFFFAOYSA-N
MW186.33 g/mol
LogP1.19
Rot. Bonds4

About silyl 2,2,5-trimethylhex-5-enoate

silyl 2,2,5-trimethylhex-5-enoate (PubChem CID 173274643) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is silyl 2,2,5-trimethylhex-5-enoate.

Molecular Properties

Compound Namesilyl 2,2,5-trimethylhex-5-enoate
PubChem CID173274643
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Namesilyl 2,2,5-trimethylhex-5-enoate
SMILESC=C(C)CCC(C)(C)C(=O)O[SiH3]
InChIInChI=1S/C9H18O2Si/c1-7(2)5-6-9(3,4)8(10)11-12/h1,5-6H2,2-4,12H3
InChIKeyJJYOXAQGGCDIAX-UHFFFAOYSA-N
XLogP1.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichloro 2,2-dimethylpentanedioate
CID 175435884
methyl 2-acetyl-2-chloro-5-methylhex-5-enoate
CID 71411876
2,5-dimethylhex-5-en-2-amine
CID 130178475
silyl 2,2,4,4,5-pentamethylhexanoate
CID 173390543
4,4,5-trimethylhex-5-enoic acid
CID 86130262
[2,2-dimethyl-3-(2-methylprop-2-enoxy)propanoyl] 2,2-dimethyl-3-(2-methylprop-2-enoxy)propanoate
CID 88827992
bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
CID 155075566
1-amino-2,2,6-trimethylhept-6-en-3-one
CID 114478039
2-ethyl-2,5-dimethylhex-5-enenitrile
CID 130513627
5-hydroperoxy-5-methoxy-2-methylhex-1-ene
CID 10487175
5,5-difluoro-2-methylhept-1-ene
CID 154971061
2-ethoxycarbonyl-5-methyl-2-propan-2-ylhex-5-enoic acid
CID 114477820

Frequently Asked Questions

What is the IUPAC name of silyl 2,2,5-trimethylhex-5-enoate?
The IUPAC name of silyl 2,2,5-trimethylhex-5-enoate (CID 173274643) is silyl 2,2,5-trimethylhex-5-enoate.
What is the SMILES notation for silyl 2,2,5-trimethylhex-5-enoate?
The canonical SMILES for silyl 2,2,5-trimethylhex-5-enoate is C=C(C)CCC(C)(C)C(=O)O[SiH3].
What is the InChIKey of silyl 2,2,5-trimethylhex-5-enoate?
The InChIKey is JJYOXAQGGCDIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-7(2)5-6-9(3,4)8(10)11-12/h1,5-6H2,2-4,12H3.
What are the key properties of silyl 2,2,5-trimethylhex-5-enoate?
silyl 2,2,5-trimethylhex-5-enoate has a molecular weight of 186.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2,2,5-trimethylhex-5-enoate is sourced from PubChem (CID 173274643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).