ethyl 3-(3-hydroxyoxan-3-yl)propanoate

C10H18O4 — CID 66322542

IUPACethyl 3-(3-hydroxyoxan-3-yl)propanoate
SMILESCCOC(=O)CCC1(O)CCCOC1
InChIInChI=1S/C10H18O4/c1-2-14-9(11)4-6-10(12)5-3-7-13-8-10/h12H,2-8H2,1H3
InChIKeyKMVBPZALZGEVMD-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.87
Rot. Bonds4

About ethyl 3-(3-hydroxyoxan-3-yl)propanoate

ethyl 3-(3-hydroxyoxan-3-yl)propanoate (PubChem CID 66322542) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 3-(3-hydroxyoxan-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-hydroxyoxan-3-yl)propanoate
PubChem CID66322542
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 3-(3-hydroxyoxan-3-yl)propanoate
SMILESCCOC(=O)CCC1(O)CCCOC1
InChIInChI=1S/C10H18O4/c1-2-14-9(11)4-6-10(12)5-3-7-13-8-10/h12H,2-8H2,1H3
InChIKeyKMVBPZALZGEVMD-UHFFFAOYSA-N
XLogP0.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

ethyl 3-(1-hydroxycyclobutyl)propanoate
CID 66323401
ethyl 3-(1-hydroxy-3-methylcyclohexyl)propanoate
CID 66323405
ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100665
ethyl 3-hydroxyoxane-3-carboxylate
CID 21336917
3-(2-aminoethyl)oxan-3-ol
CID 79123930
3-pentyloxan-3-ol
CID 65148784
ethyl 3-aminooxane-3-carboxylate;hydrochloride
CID 138991136
3-octyloxan-3-ol
CID 65148950
ethyl 3-(1-hydroxy-3-methoxycyclobutyl)propanoate
CID 106824103
ethyl 2-[3-(azepan-1-yl)oxan-3-yl]acetate
CID 64528384
3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid
CID 69312461
ethyl 4-(4-ethoxyoxan-4-yl)-4-oxobutanoate
CID 116774928

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-hydroxyoxan-3-yl)propanoate?
The IUPAC name of ethyl 3-(3-hydroxyoxan-3-yl)propanoate (CID 66322542) is ethyl 3-(3-hydroxyoxan-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(3-hydroxyoxan-3-yl)propanoate?
The canonical SMILES for ethyl 3-(3-hydroxyoxan-3-yl)propanoate is CCOC(=O)CCC1(O)CCCOC1.
What is the InChIKey of ethyl 3-(3-hydroxyoxan-3-yl)propanoate?
The InChIKey is KMVBPZALZGEVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-14-9(11)4-6-10(12)5-3-7-13-8-10/h12H,2-8H2,1H3.
What are the key properties of ethyl 3-(3-hydroxyoxan-3-yl)propanoate?
ethyl 3-(3-hydroxyoxan-3-yl)propanoate has a molecular weight of 202.25 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-hydroxyoxan-3-yl)propanoate is sourced from PubChem (CID 66322542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).