ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate

C12H22O4 — CID 106824079

IUPACethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate
SMILESCCOC(=O)C(CC)C1(O)CC(OCC)C1
InChIInChI=1S/C12H22O4/c1-4-10(11(13)16-6-3)12(14)7-9(8-12)15-5-2/h9-10,14H,4-8H2,1-3H3
InChIKeyBZYHCQFQPLNCHD-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.51
Rot. Bonds6

About ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate

ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate (PubChem CID 106824079) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate.

Molecular Properties

Compound Nameethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate
PubChem CID106824079
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Nameethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate
SMILESCCOC(=O)C(CC)C1(O)CC(OCC)C1
InChIInChI=1S/C12H22O4/c1-4-10(11(13)16-6-3)12(14)7-9(8-12)15-5-2/h9-10,14H,4-8H2,1-3H3
InChIKeyBZYHCQFQPLNCHD-UHFFFAOYSA-N
XLogP1.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethyl)-3-ethoxycyclobutan-1-ol
CID 106823329
2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid
CID 106824095
2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid
CID 106824660
ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate
CID 62393323
ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate
CID 106824086
ethyl 2-(3-hydroxy-1,5-dimethylpyrrolidin-3-yl)pentanoate
CID 83043585
3-ethoxy-1-(2-methylpropyl)cyclobutan-1-ol
CID 106823218
diethyl 2-(1-hydroxy-3-methoxycyclohexyl)propanedioate
CID 106874291
ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate
CID 103564898
1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol
CID 106824789
methyl 2-(1-amino-3-ethoxycyclobutyl)acetate
CID 106824251
ethyl 2-(2,5,5-trimethyl-1,3-dioxan-2-yl)butanoate
CID 15181700

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate?
The IUPAC name of ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate (CID 106824079) is ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate.
What is the SMILES notation for ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate?
The canonical SMILES for ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate is CCOC(=O)C(CC)C1(O)CC(OCC)C1.
What is the InChIKey of ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate?
The InChIKey is BZYHCQFQPLNCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-4-10(11(13)16-6-3)12(14)7-9(8-12)15-5-2/h9-10,14H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate?
ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate has a molecular weight of 230.30 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate is sourced from PubChem (CID 106824079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).