2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid

C12H22O4 — CID 65259862

IUPAC2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid
SMILESCC(C)(CCCOCC1CCCO1)C(=O)O
InChIInChI=1S/C12H22O4/c1-12(2,11(13)14)6-4-7-15-9-10-5-3-8-16-10/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyGIQZJQLQWXYCQY-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.07
Rot. Bonds7

About 2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid

2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid (PubChem CID 65259862) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid
PubChem CID65259862
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid
SMILESCC(C)(CCCOCC1CCCO1)C(=O)O
InChIInChI=1S/C12H22O4/c1-12(2,11(13)14)6-4-7-15-9-10-5-3-8-16-10/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyGIQZJQLQWXYCQY-UHFFFAOYSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid
CID 106806865
2,2-dimethyl-3-[3-(oxolan-2-ylmethoxy)propanoylamino]propanoic acid
CID 119249846
2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid
CID 106713969
6-(oxolan-2-ylmethoxy)hexan-3-one
CID 106801896
2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79805275
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
2,2-dimethyl-6-(oxolan-2-ylmethoxy)hexanenitrile
CID 106710387
tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate
CID 115606970
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
(2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid
CID 97233797
2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
CID 82238709

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid?
The IUPAC name of 2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid (CID 65259862) is 2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid is CC(C)(CCCOCC1CCCO1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid?
The InChIKey is GIQZJQLQWXYCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-12(2,11(13)14)6-4-7-15-9-10-5-3-8-16-10/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid?
2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid has a molecular weight of 230.30 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid is sourced from PubChem (CID 65259862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).