3-methylbutyl 2-propan-2-yloxyacetate

C10H20O3 — CID 59502419

IUPAC3-methylbutyl 2-propan-2-yloxyacetate
SMILESCC(C)CCOC(=O)COC(C)C
InChIInChI=1S/C10H20O3/c1-8(2)5-6-12-10(11)7-13-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyOYJYLYFHBSCYJU-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.00
Rot. Bonds6

About 3-methylbutyl 2-propan-2-yloxyacetate

3-methylbutyl 2-propan-2-yloxyacetate (PubChem CID 59502419) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-methylbutyl 2-propan-2-yloxyacetate.

Molecular Properties

Compound Name3-methylbutyl 2-propan-2-yloxyacetate
PubChem CID59502419
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-methylbutyl 2-propan-2-yloxyacetate
SMILESCC(C)CCOC(=O)COC(C)C
InChIInChI=1S/C10H20O3/c1-8(2)5-6-12-10(11)7-13-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyOYJYLYFHBSCYJU-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate
CID 91695893
ethyl 2-propan-2-yloxyacetate
CID 537908
3-[2-(3-methylbutoxy)acetyl]oxypropyl 2-(3-methylbutoxy)acetate
CID 174375629
bis(3-methylbutyl) tetradecanedioate
CID 87116358
bis(3-methylbutyl) 2-hydroxybutanedioate
CID 10308226
4-(3-methylbutoxy)-4-oxo-2,2-bis(sulfanyl)butanoic acid
CID 91235555
3-methylbutyl 2-(4-ethoxyphenoxy)acetate
CID 78832256
3-methylbutyl 2-(3-methylbutoxysulfonyl)acetate
CID 90416146
3-methylbutyl 2-(2-methylpropylamino)acetate
CID 63065072
3-methylbutyl 4,4-di(nonoxy)butanoate
CID 170937742
3-methylbutyl acetate;oxophosphanium
CID 159706016
3-methylbutyl 2-[acetyl(methyl)amino]acetate
CID 78863232

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 2-propan-2-yloxyacetate?
The IUPAC name of 3-methylbutyl 2-propan-2-yloxyacetate (CID 59502419) is 3-methylbutyl 2-propan-2-yloxyacetate.
What is the SMILES notation for 3-methylbutyl 2-propan-2-yloxyacetate?
The canonical SMILES for 3-methylbutyl 2-propan-2-yloxyacetate is CC(C)CCOC(=O)COC(C)C.
What is the InChIKey of 3-methylbutyl 2-propan-2-yloxyacetate?
The InChIKey is OYJYLYFHBSCYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(2)5-6-12-10(11)7-13-9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-methylbutyl 2-propan-2-yloxyacetate?
3-methylbutyl 2-propan-2-yloxyacetate has a molecular weight of 188.27 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 2-propan-2-yloxyacetate is sourced from PubChem (CID 59502419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).