methyl 2,2-diethoxycyclobutane-1-carboxylate

C10H18O4 — CID 15663571

IUPACmethyl 2,2-diethoxycyclobutane-1-carboxylate
SMILESCCOC1(OCC)CCC1C(=O)OC
InChIInChI=1S/C10H18O4/c1-4-13-10(14-5-2)7-6-8(10)9(11)12-3/h8H,4-7H2,1-3H3
InChIKeyCFODKVZDJYYJRM-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.34
Rot. Bonds5

About methyl 2,2-diethoxycyclobutane-1-carboxylate

methyl 2,2-diethoxycyclobutane-1-carboxylate (PubChem CID 15663571) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2,2-diethoxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-diethoxycyclobutane-1-carboxylate
PubChem CID15663571
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl 2,2-diethoxycyclobutane-1-carboxylate
SMILESCCOC1(OCC)CCC1C(=O)OC
InChIInChI=1S/C10H18O4/c1-4-13-10(14-5-2)7-6-8(10)9(11)12-3/h8H,4-7H2,1-3H3
InChIKeyCFODKVZDJYYJRM-UHFFFAOYSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2,2-dimethoxycyclobutane-1-carboxylate
CID 14958501
Methyl 2,2-dimethoxy-3-methylcyclobutane-1-carboxylate
CID 338798
diethyl (1S,2R)-3,3-diethoxycyclobutane-1,2-dicarboxylate
CID 14378474
Methyl 2-[(4s,5s)-2,2,5-trimethyl-1,3-dioxan-4-yl]acetate
CID 129748575
Ethyl 3,3,5-triethoxy-4-methylpentanoate
CID 256363
Diethyl 2-(3,3-diethoxypropyl)propanedioate
CID 325836
methyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate
CID 14586779
methyl (3R)-5-acetyloxy-3-(methoxymethoxy)pentanoate
CID 131850966
Ethyl 3-(2,2-dimethyl-1,3-dioxan-5-yl)propanoate
CID 10680237
trans-3,3-Diethoxy-1,2-cyclobutanedicarboxylic acid, diethyl ester
CID 14378472
Methyl 5,8-dioxaspiro[3.4]octane-3-carboxylate
CID 14686713
2-[3-(2-Methoxypropan-2-yloxy)propyl]propanedioic acid
CID 19765130

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-diethoxycyclobutane-1-carboxylate?
The IUPAC name of methyl 2,2-diethoxycyclobutane-1-carboxylate (CID 15663571) is methyl 2,2-diethoxycyclobutane-1-carboxylate.
What is the SMILES notation for methyl 2,2-diethoxycyclobutane-1-carboxylate?
The canonical SMILES for methyl 2,2-diethoxycyclobutane-1-carboxylate is CCOC1(OCC)CCC1C(=O)OC.
What is the InChIKey of methyl 2,2-diethoxycyclobutane-1-carboxylate?
The InChIKey is CFODKVZDJYYJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-13-10(14-5-2)7-6-8(10)9(11)12-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 2,2-diethoxycyclobutane-1-carboxylate?
methyl 2,2-diethoxycyclobutane-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-diethoxycyclobutane-1-carboxylate is sourced from PubChem (CID 15663571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).