2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid

C10H16O4 — CID 90905130

IUPAC2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid
SMILESCCCOC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C10H16O4/c1-4-5-14-9(13)7-6(8(11)12)10(7,2)3/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyHRDZAXBJFJZFTO-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.30
Rot. Bonds4

About 2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid

2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid (PubChem CID 90905130) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid
PubChem CID90905130
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid
SMILESCCCOC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C10H16O4/c1-4-5-14-9(13)7-6(8(11)12)10(7,2)3/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyHRDZAXBJFJZFTO-UHFFFAOYSA-N
XLogP1.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 66922170
cis-(1R,3S)-3-methoxycarbonyl-2,2-dimethylcyclopropane-1-carboxylic acid
CID 13041474
dipropyl 1,4-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 141232438
(2,2-dimethyl-3-propoxycarbonylcyclopropyl)methanesulfonic acid
CID 141174527
tripropyl cyclopropane-1,2,3-tricarboxylate
CID 177455130
2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid
CID 13457411
trans-(1S,3S)-3-[(E)-2-chloro-3-oxo-3-propoxyprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 152750559
(2,2-dimethyl-3-propoxycarbonylcyclopropyl)methyl benzoate
CID 66922160
ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate
CID 139939007
sodium (2,2-dimethyl-3-propoxycarbonylcyclopropyl)-hydroxymethanesulfonate
CID 87423757
butyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
CID 23073779
dipropyl oxirane-2,3-dicarboxylate
CID 58624990

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid (CID 90905130) is 2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid is CCCOC(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid?
The InChIKey is HRDZAXBJFJZFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-5-14-9(13)7-6(8(11)12)10(7,2)3/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid?
2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 90905130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).