4-methyl-4-(3-methylbutoxy)pentanoic acid

C11H22O3 — CID 89044410

IUPAC4-methyl-4-(3-methylbutoxy)pentanoic acid
SMILESCC(C)CCOC(C)(C)CCC(=O)O
InChIInChI=1S/C11H22O3/c1-9(2)6-8-14-11(3,4)7-5-10(12)13/h9H,5-8H2,1-4H3,(H,12,13)
InChIKeyXZGTYSRRQZAKMW-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.69
Rot. Bonds7

About 4-methyl-4-(3-methylbutoxy)pentanoic acid

4-methyl-4-(3-methylbutoxy)pentanoic acid (PubChem CID 89044410) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 4-methyl-4-(3-methylbutoxy)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(3-methylbutoxy)pentanoic acid
PubChem CID89044410
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name4-methyl-4-(3-methylbutoxy)pentanoic acid
SMILESCC(C)CCOC(C)(C)CCC(=O)O
InChIInChI=1S/C11H22O3/c1-9(2)6-8-14-11(3,4)7-5-10(12)13/h9H,5-8H2,1-4H3,(H,12,13)
InChIKeyXZGTYSRRQZAKMW-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid
CID 142009252
2,2,5-trimethyl-5-(3-methylbutoxy)hexane
CID 123343377
2-methyl-2,5-bis(3-methylbutoxy)hexane
CID 90290201
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
CID 156868708
(2,5-dihydroxypyrrol-1-yl) 4-methyl-4-(3-methylbutoxy)pentanoate
CID 90930859
4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid
CID 129177449
N-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide
CID 146510269
propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane
CID 167513215
1-chloro-6-methyl-6-(3-methylbutoxy)heptane
CID 170630353
N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922
bis[1,1-bis(3-methylbutoxy)ethyl] hexanedioate
CID 164884967

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(3-methylbutoxy)pentanoic acid?
The IUPAC name of 4-methyl-4-(3-methylbutoxy)pentanoic acid (CID 89044410) is 4-methyl-4-(3-methylbutoxy)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(3-methylbutoxy)pentanoic acid?
The canonical SMILES for 4-methyl-4-(3-methylbutoxy)pentanoic acid is CC(C)CCOC(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-(3-methylbutoxy)pentanoic acid?
The InChIKey is XZGTYSRRQZAKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-9(2)6-8-14-11(3,4)7-5-10(12)13/h9H,5-8H2,1-4H3,(H,12,13).
What are the key properties of 4-methyl-4-(3-methylbutoxy)pentanoic acid?
4-methyl-4-(3-methylbutoxy)pentanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(3-methylbutoxy)pentanoic acid is sourced from PubChem (CID 89044410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).