sodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride

C8H17NaO3 — CID 174603299

IUPACsodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride
SMILESCC(C)(C)COCCOC=O.[H-].[Na+]
InChIInChI=1S/C8H16O3.Na.H/c1-8(2,3)6-10-4-5-11-7-9;;/h7H,4-6H2,1-3H3;;/q;+1;-1
InChIKeyKMWXEUMHPRTCQS-UHFFFAOYSA-N
MW184.21 g/mol
LogP-1.66
Rot. Bonds5

About sodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride

sodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride (PubChem CID 174603299) has the molecular formula C8H17NaO3 and a molecular weight of 184.21 g/mol. Its IUPAC name is sodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride.

Molecular Properties

Compound Namesodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride
PubChem CID174603299
Molecular FormulaC8H17NaO3
Molecular Weight184.21 g/mol
Exact Mass184.11
IUPAC Namesodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride
SMILESCC(C)(C)COCCOC=O.[H-].[Na+]
InChIInChI=1S/C8H16O3.Na.H/c1-8(2,3)6-10-4-5-11-7-9;;/h7H,4-6H2,1-3H3;;/q;+1;-1
InChIKeyKMWXEUMHPRTCQS-UHFFFAOYSA-N
XLogP-1.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 5-1.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethyl formate
CID 23448310
2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate
CID 155761991
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2-dimethylpropane
CID 166572083
1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620
2-(formyloxymethoxy)ethyl formate
CID 57242622
2,2-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134553502
2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate
CID 139655550
10,10-dimethylundecyl formate
CID 91170275
13-(2-methoxyethoxy)tridecyl formate
CID 87852732
N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine
CID 172821329
1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane
CID 176614157
1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane
CID 175012315

Frequently Asked Questions

What is the IUPAC name of sodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride?
The IUPAC name of sodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride (CID 174603299) is sodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride.
What is the SMILES notation for sodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride?
The canonical SMILES for sodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride is CC(C)(C)COCCOC=O.[H-].[Na+].
What is the InChIKey of sodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride?
The InChIKey is KMWXEUMHPRTCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.Na.H/c1-8(2,3)6-10-4-5-11-7-9;;/h7H,4-6H2,1-3H3;;/q;+1;-1.
What are the key properties of sodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride?
sodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride has a molecular weight of 184.21 g/mol, XLogP of -1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride is sourced from PubChem (CID 174603299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).