ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate

C10H18O4 — CID 106824103

IUPACethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate
SMILESCCOC(=O)CCC1(O)CC(OC)C1
InChIInChI=1S/C10H18O4/c1-3-14-9(11)4-5-10(12)6-8(7-10)13-2/h8,12H,3-7H2,1-2H3
InChIKeyKGAWJYBMGFGJJH-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.87
Rot. Bonds5

About ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate

ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate (PubChem CID 106824103) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate
PubChem CID106824103
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate
SMILESCCOC(=O)CCC1(O)CC(OC)C1
InChIInChI=1S/C10H18O4/c1-3-14-9(11)4-5-10(12)6-8(7-10)13-2/h8,12H,3-7H2,1-2H3
InChIKeyKGAWJYBMGFGJJH-UHFFFAOYSA-N
XLogP0.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate?
The IUPAC name of ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate (CID 106824103) is ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate.
What is the SMILES notation for ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate?
The canonical SMILES for ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate is CCOC(=O)CCC1(O)CC(OC)C1.
What is the InChIKey of ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate?
The InChIKey is KGAWJYBMGFGJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-14-9(11)4-5-10(12)6-8(7-10)13-2/h8,12H,3-7H2,1-2H3.
What are the key properties of ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate?
ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate has a molecular weight of 202.25 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate is sourced from PubChem (CID 106824103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).