2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid

C10H18O3 — CID 13457411

IUPAC2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid
SMILESCCCOCC1C(C(=O)O)C1(C)C
InChIInChI=1S/C10H18O3/c1-4-5-13-6-7-8(9(11)12)10(7,2)3/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyYOWKCZYWGBIXOD-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.77
Rot. Bonds5

About 2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid

2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid (PubChem CID 13457411) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid
PubChem CID13457411
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid
SMILESCCCOCC1C(C(=O)O)C1(C)C
InChIInChI=1S/C10H18O3/c1-4-5-13-6-7-8(9(11)12)10(7,2)3/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyYOWKCZYWGBIXOD-UHFFFAOYSA-N
XLogP1.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(ethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 13457409
2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid
CID 90905130
trans-(1R,3S)-3-(carboxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 15559668
propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 66922170
3-(3-acetyloxypropyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 174743906
acetic acid;ethane-1,2-diol;1-propoxypropane
CID 87173369
trans-(1R,3S)-3-(2-chloro-3,3,3-trifluoropropyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 22820052
trans-(1R,3S)-3-(butoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 88738359
2,2-difluoro-3-propylcyclopropane-1-carboxylic acid
CID 130676135
trans-(1S,3S)-3-[(E)-2-chloro-3-oxo-3-propoxyprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 152750559
3-(cyclohexylmethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 130488372
3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 22564701

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid (CID 13457411) is 2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid is CCCOCC1C(C(=O)O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid?
The InChIKey is YOWKCZYWGBIXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-5-13-6-7-8(9(11)12)10(7,2)3/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 13457411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).