methyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate

C10H18O5 — CID 90016982

IUPACmethyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate
SMILESCOC(=O)C1(CCO)CC(OC)(OC)C1
InChIInChI=1S/C10H18O5/c1-13-8(12)9(4-5-11)6-10(7-9,14-2)15-3/h11H,4-7H2,1-3H3
InChIKeyIRFQODUYBKKHBY-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.31
Rot. Bonds5

About methyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate

methyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate (PubChem CID 90016982) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate
PubChem CID90016982
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namemethyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate
SMILESCOC(=O)C1(CCO)CC(OC)(OC)C1
InChIInChI=1S/C10H18O5/c1-13-8(12)9(4-5-11)6-10(7-9,14-2)15-3/h11H,4-7H2,1-3H3
InChIKeyIRFQODUYBKKHBY-UHFFFAOYSA-N
XLogP0.31
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethyl 5-hydroxy-2-(2-methoxyethyl)-2-methylpentanoate
CID 58052452
Methyl 1-(1-hydroxyethyl)-3,3-dimethoxycyclobutanecarboxylate
CID 86724266
4-Hydroxy-2-(2-hydroxypropyl)-2-methylpentanoic acid
CID 87694486
1-(1-Hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylic acid
CID 90016295
1-(2-Hydroxypropyl)-3,3-dimethoxycyclobutane-1-carboxylic acid
CID 90016983
4-(2-Hydroxypropyl)oxane-4-carboxylic acid
CID 79425061
3-Hydroxy-1-(1-hydroxy-2-methylpropan-2-yl)cyclobutane-1-carboxylic acid
CID 165616255
3-Hydroxy-1-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxylic acid
CID 165617794
2-[1-(Dimethoxymethyl)cyclobutyl]acetic acid
CID 165836634
3-Hydroxy-1-(2-methoxyethyl)cyclobutane-1-carboxylic acid
CID 165843722
1-(3-Ethyloxetan-3-yl)-3-hydroxycyclobutane-1-carboxylic acid
CID 165845869
3-Hydroxy-1-(3-methyloxetan-3-yl)cyclobutane-1-carboxylic acid
CID 165884774

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate (CID 90016982) is methyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate is COC(=O)C1(CCO)CC(OC)(OC)C1.
What is the InChIKey of methyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate?
The InChIKey is IRFQODUYBKKHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-13-8(12)9(4-5-11)6-10(7-9,14-2)15-3/h11H,4-7H2,1-3H3.
What are the key properties of methyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate?
methyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate has a molecular weight of 218.25 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxyethyl)-3,3-dimethoxycyclobutane-1-carboxylate is sourced from PubChem (CID 90016982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).