(2-ethoxy-3-methylbutan-2-yl) acetate

C9H18O3 — CID 141070948

IUPAC(2-ethoxy-3-methylbutan-2-yl) acetate
SMILESCCOC(C)(OC(C)=O)C(C)C
InChIInChI=1S/C9H18O3/c1-6-11-9(5,7(2)3)12-8(4)10/h7H,6H2,1-5H3
InChIKeySVEPUDUQUVGEHA-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.96
Rot. Bonds4

About (2-ethoxy-3-methylbutan-2-yl) acetate

(2-ethoxy-3-methylbutan-2-yl) acetate (PubChem CID 141070948) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2-ethoxy-3-methylbutan-2-yl) acetate.

Molecular Properties

Compound Name(2-ethoxy-3-methylbutan-2-yl) acetate
PubChem CID141070948
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(2-ethoxy-3-methylbutan-2-yl) acetate
SMILESCCOC(C)(OC(C)=O)C(C)C
InChIInChI=1S/C9H18O3/c1-6-11-9(5,7(2)3)12-8(4)10/h7H,6H2,1-5H3
InChIKeySVEPUDUQUVGEHA-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxypropan-2-yl acetate
CID 19889183
(2-ethoxy-3-methylbutan-2-yl)oxysilane
CID 173460404
(1-chloro-2-methylbutan-2-yl) acetate
CID 23269035
ethanol;(3-methyl-2,4-dioxopentan-3-yl) acetate
CID 88995879
acetic acid;1,1,1-triethoxyethane
CID 90101940
azane;2,3,4-trimethylpentan-3-yl acetate
CID 87190054
(3S)-3-ethoxy-3-methoxybutan-2-one
CID 89113012
2-ethoxy-2,4-dimethylheptan-3-one
CID 107896398
diethyl 2-acetyloxy-2-methylpropanedioate
CID 14271792
(2-amino-3-methylbutan-2-yl) acetate
CID 140983582
bis(2-ethoxypropan-2-yl) carbonate
CID 87247770
methyl 2-acetyloxy-2,4-dimethylpentanoate
CID 166684864

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-methylbutan-2-yl) acetate?
The IUPAC name of (2-ethoxy-3-methylbutan-2-yl) acetate (CID 141070948) is (2-ethoxy-3-methylbutan-2-yl) acetate.
What is the SMILES notation for (2-ethoxy-3-methylbutan-2-yl) acetate?
The canonical SMILES for (2-ethoxy-3-methylbutan-2-yl) acetate is CCOC(C)(OC(C)=O)C(C)C.
What is the InChIKey of (2-ethoxy-3-methylbutan-2-yl) acetate?
The InChIKey is SVEPUDUQUVGEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-6-11-9(5,7(2)3)12-8(4)10/h7H,6H2,1-5H3.
What are the key properties of (2-ethoxy-3-methylbutan-2-yl) acetate?
(2-ethoxy-3-methylbutan-2-yl) acetate has a molecular weight of 174.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-methylbutan-2-yl) acetate is sourced from PubChem (CID 141070948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).