1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid

C12H22O3 — CID 103017563

IUPAC1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid
SMILESCOC(C)(C)CCC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22O3/c1-11(2,15-3)8-9-12(10(13)14)6-4-5-7-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyPBFKJMOEXHGOFC-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.84
Rot. Bonds5

About 1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid

1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid (PubChem CID 103017563) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid
PubChem CID103017563
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid
SMILESCOC(C)(C)CCC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22O3/c1-11(2,15-3)8-9-12(10(13)14)6-4-5-7-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyPBFKJMOEXHGOFC-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 103017597
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane-1-carboxylic acid
CID 112590761
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
(3-methoxy-3-methylbutyl) 1-(aminomethyl)cycloheptane-1-carboxylate
CID 106666128
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-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
CID 103181465
3-(3-methoxy-3-methylbutyl)-1,1-dioxothiolan-3-ol
CID 103035083
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid (CID 103017563) is 1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid is COC(C)(C)CCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid?
The InChIKey is PBFKJMOEXHGOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(2,15-3)8-9-12(10(13)14)6-4-5-7-12/h4-9H2,1-3H3,(H,13,14).
What are the key properties of 1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid?
1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid has a molecular weight of 214.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103017563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).