2-(3-methyl-2-propan-2-ylbutoxy)acetic acid

C10H20O3 — CID 87847477

IUPAC2-(3-methyl-2-propan-2-ylbutoxy)acetic acid
SMILESCC(C)C(COCC(=O)O)C(C)C
InChIInChI=1S/C10H20O3/c1-7(2)9(8(3)4)5-13-6-10(11)12/h7-9H,5-6H2,1-4H3,(H,11,12)
InChIKeySRPOOFNXQQFDJJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.02
Rot. Bonds6

About 2-(3-methyl-2-propan-2-ylbutoxy)acetic acid

2-(3-methyl-2-propan-2-ylbutoxy)acetic acid (PubChem CID 87847477) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(3-methyl-2-propan-2-ylbutoxy)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-2-propan-2-ylbutoxy)acetic acid
PubChem CID87847477
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-(3-methyl-2-propan-2-ylbutoxy)acetic acid
SMILESCC(C)C(COCC(=O)O)C(C)C
InChIInChI=1S/C10H20O3/c1-7(2)9(8(3)4)5-13-6-10(11)12/h7-9H,5-6H2,1-4H3,(H,11,12)
InChIKeySRPOOFNXQQFDJJ-UHFFFAOYSA-N
XLogP2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

lithium;2-methylpropane;2-(2-methylpropoxy)acetic acid
CID 161153037
2-[(2R)-2-phenylpropoxy]acetic acid
CID 124585460
(2R)-2-amino-3-(carboxymethoxy)propanoic acid
CID 87968783
2-(carboxymethoxy)acetic acid;sulfane
CID 158807579
2-(carboxymethoxy)acetic acid;hydrochloride
CID 174705448
2-(fluoromethoxy)acetic acid
CID 162467662
2-ethoxyacetic acid
CID 159744705
2-[2-(3-methylbutoxy)ethoxy]acetic acid
CID 112692943
carbonic acid;2-ethoxyacetic acid
CID 174869478
2-(2-ethylhexoxy)acetic acid
CID 11651287
2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
CID 79456707
2-[2-(1-aminoethoxy)ethoxy]acetic acid
CID 19037384

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-propan-2-ylbutoxy)acetic acid?
The IUPAC name of 2-(3-methyl-2-propan-2-ylbutoxy)acetic acid (CID 87847477) is 2-(3-methyl-2-propan-2-ylbutoxy)acetic acid.
What is the SMILES notation for 2-(3-methyl-2-propan-2-ylbutoxy)acetic acid?
The canonical SMILES for 2-(3-methyl-2-propan-2-ylbutoxy)acetic acid is CC(C)C(COCC(=O)O)C(C)C.
What is the InChIKey of 2-(3-methyl-2-propan-2-ylbutoxy)acetic acid?
The InChIKey is SRPOOFNXQQFDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-7(2)9(8(3)4)5-13-6-10(11)12/h7-9H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-(3-methyl-2-propan-2-ylbutoxy)acetic acid?
2-(3-methyl-2-propan-2-ylbutoxy)acetic acid has a molecular weight of 188.27 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-propan-2-ylbutoxy)acetic acid is sourced from PubChem (CID 87847477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).