methoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid

C15H20O5 — CID 174894159

IUPACmethoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid
SMILESCOC1CCCC1.Cc1c(C(=O)O)cccc1C(=O)O
InChIInChI=1S/C9H8O4.C6H12O/c1-5-6(8(10)11)3-2-4-7(5)9(12)13;1-7-6-4-2-3-5-6/h2-4H,1H3,(H,10,11)(H,12,13);6H,2-5H2,1H3
InChIKeyGHPCYKSPCXGGGL-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.97
Rot. Bonds3

About methoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid

methoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid (PubChem CID 174894159) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is methoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Namemethoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid
PubChem CID174894159
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namemethoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid
SMILESCOC1CCCC1.Cc1c(C(=O)O)cccc1C(=O)O
InChIInChI=1S/C9H8O4.C6H12O/c1-5-6(8(10)11)3-2-4-7(5)9(12)13;1-7-6-4-2-3-5-6/h2-4H,1H3,(H,10,11)(H,12,13);6H,2-5H2,1H3
InChIKeyGHPCYKSPCXGGGL-UHFFFAOYSA-N
XLogP2.97
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexanol;2-methylbenzene-1,3-dicarboxylic acid
CID 174867146
bicyclo[1.1.0]butane;2-methylbenzene-1,3-dicarboxylic acid
CID 174778770
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301
isocyanic acid;2-methylbenzene-1,3-dicarboxylic acid;methylcyclohexane
CID 174555520
cyclobutanone;2-methylbenzene-1,3-dicarboxylic acid
CID 174422284
3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methylbenzoic acid
CID 167888085
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-methylbenzoic acid
CID 51576502
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
(3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 82829162
2-methylbenzene-1,3-dicarboxylic acid;propan-2-ol
CID 175270418
2-methylbenzene-1,3-dicarboxylic acid;tridecane
CID 161399193

Frequently Asked Questions

What is the IUPAC name of methoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid?
The IUPAC name of methoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid (CID 174894159) is methoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for methoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for methoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid is COC1CCCC1.Cc1c(C(=O)O)cccc1C(=O)O.
What is the InChIKey of methoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid?
The InChIKey is GHPCYKSPCXGGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4.C6H12O/c1-5-6(8(10)11)3-2-4-7(5)9(12)13;1-7-6-4-2-3-5-6/h2-4H,1H3,(H,10,11)(H,12,13);6H,2-5H2,1H3.
What are the key properties of methoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid?
methoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 174894159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).