1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid

C12H22O3 — CID 112590761

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OCCC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22O3/c1-11(2,3)15-9-8-12(10(13)14)6-4-5-7-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyMVXLRRUCQCOSSU-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.84
Rot. Bonds4

About 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 112590761) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid
PubChem CID112590761
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OCCC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22O3/c1-11(2,3)15-9-8-12(10(13)14)6-4-5-7-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyMVXLRRUCQCOSSU-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid
CID 103017563
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentan-1-ol
CID 130445471
1-[2-(3-methylbutoxy)ethyl]cyclopentane-1-carboxylic acid
CID 62739552
1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
CID 103181465
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclobutyl]methanol
CID 112592330
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103410978
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
CID 3060307
1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid
CID 123411679

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid (CID 112590761) is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid is CC(C)(C)OCCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is MVXLRRUCQCOSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(2,3)15-9-8-12(10(13)14)6-4-5-7-12/h4-9H2,1-3H3,(H,13,14).
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid?
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 214.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 112590761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).