propyl 3-cyclopropyl-3-propoxypropanoate

C12H22O3 — CID 10130592

IUPACpropyl 3-cyclopropyl-3-propoxypropanoate
SMILESCCCOC(=O)CC(OCCC)C1CC1
InChIInChI=1S/C12H22O3/c1-3-7-14-11(10-5-6-10)9-12(13)15-8-4-2/h10-11H,3-9H2,1-2H3
InChIKeyLKFCZVCXHBDZQS-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.53
Rot. Bonds8

About propyl 3-cyclopropyl-3-propoxypropanoate

propyl 3-cyclopropyl-3-propoxypropanoate (PubChem CID 10130592) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is propyl 3-cyclopropyl-3-propoxypropanoate.

Molecular Properties

Compound Namepropyl 3-cyclopropyl-3-propoxypropanoate
PubChem CID10130592
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namepropyl 3-cyclopropyl-3-propoxypropanoate
SMILESCCCOC(=O)CC(OCCC)C1CC1
InChIInChI=1S/C12H22O3/c1-3-7-14-11(10-5-6-10)9-12(13)15-8-4-2/h10-11H,3-9H2,1-2H3
InChIKeyLKFCZVCXHBDZQS-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 3-cyclopropyl-3-propoxypropanoate?
The IUPAC name of propyl 3-cyclopropyl-3-propoxypropanoate (CID 10130592) is propyl 3-cyclopropyl-3-propoxypropanoate.
What is the SMILES notation for propyl 3-cyclopropyl-3-propoxypropanoate?
The canonical SMILES for propyl 3-cyclopropyl-3-propoxypropanoate is CCCOC(=O)CC(OCCC)C1CC1.
What is the InChIKey of propyl 3-cyclopropyl-3-propoxypropanoate?
The InChIKey is LKFCZVCXHBDZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-7-14-11(10-5-6-10)9-12(13)15-8-4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of propyl 3-cyclopropyl-3-propoxypropanoate?
propyl 3-cyclopropyl-3-propoxypropanoate has a molecular weight of 214.30 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-cyclopropyl-3-propoxypropanoate is sourced from PubChem (CID 10130592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).