2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen

C11H20O9 — CID 157307549

IUPAC2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen
SMILESCC(COCC(=O)O)(COCC(=O)O)COCC(=O)O.[H][H]
InChIInChI=1S/C11H18O9.H2/c1-11(5-18-2-8(12)13,6-19-3-9(14)15)7-20-4-10(16)17;/h2-7H2,1H3,(H,12,13)(H,14,15)(H,16,17);1H
InChIKeyBCQVZFWPVMJPAN-UHFFFAOYSA-N
MW296.27 g/mol
LogP-0.46
Rot. Bonds12

About 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen

2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen (PubChem CID 157307549) has the molecular formula C11H20O9 and a molecular weight of 296.27 g/mol. Its IUPAC name is 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen.

Molecular Properties

Compound Name2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen
PubChem CID157307549
Molecular FormulaC11H20O9
Molecular Weight296.27 g/mol
Exact Mass296.11
IUPAC Name2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen
SMILESCC(COCC(=O)O)(COCC(=O)O)COCC(=O)O.[H][H]
InChIInChI=1S/C11H18O9.H2/c1-11(5-18-2-8(12)13,6-19-3-9(14)15)7-20-4-10(16)17;/h2-7H2,1H3,(H,12,13)(H,14,15)(H,16,17);1H
InChIKeyBCQVZFWPVMJPAN-UHFFFAOYSA-N
XLogP-0.46
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Butoxyethoxy)acetic acid
CID 106312
2-(2-(2-Butoxyethoxy)ethoxy)acetic acid
CID 85994440
2,5,8,11-Tetraoxatridecan-13-oic acid
CID 9859324
2-(3-Methoxypropoxy)acetic acid
CID 15122313
Hydroxy-PEG2-t-butyl acetate
CID 19780618
Hydroxy-PEG1-CH2CO2tBu
CID 57802514
Hydroxy-PEG3-t-butyl acetate
CID 77078248
Oxalic acid, dineopentyl ester
CID 6421077
3,6,9,12,15-Pentaoxahexadecanoic acid
CID 85242
1,1,1-Tris-(carboxymethoxymethyl)ethane
CID 12729087
4-ArM PEGn-COOH 2K, 5K, 10K, 20K
CID 57589707
t-butyl acetate-PEG2-CH2COOH
CID 58208532

Frequently Asked Questions

What is the IUPAC name of 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen?
The IUPAC name of 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen (CID 157307549) is 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen.
What is the SMILES notation for 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen?
The canonical SMILES for 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen is CC(COCC(=O)O)(COCC(=O)O)COCC(=O)O.[H][H].
What is the InChIKey of 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen?
The InChIKey is BCQVZFWPVMJPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O9.H2/c1-11(5-18-2-8(12)13,6-19-3-9(14)15)7-20-4-10(16)17;/h2-7H2,1H3,(H,12,13)(H,14,15)(H,16,17);1H.
What are the key properties of 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen?
2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen has a molecular weight of 296.27 g/mol, XLogP of -0.46, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen is sourced from PubChem (CID 157307549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).