methyl 3,3-dimethylcyclobutane-1-carboxylate

C8H14O2 — CID 55296083

IUPACmethyl 3,3-dimethylcyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(C)(C)C1
InChIInChI=1S/C8H14O2/c1-8(2)4-6(5-8)7(9)10-3/h6H,4-5H2,1-3H3
InChIKeyCHNSELMPFKJRDN-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.60
Rot. Bonds1

About methyl 3,3-dimethylcyclobutane-1-carboxylate

methyl 3,3-dimethylcyclobutane-1-carboxylate (PubChem CID 55296083) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is methyl 3,3-dimethylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3,3-dimethylcyclobutane-1-carboxylate
PubChem CID55296083
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namemethyl 3,3-dimethylcyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(C)(C)C1
InChIInChI=1S/C8H14O2/c1-8(2)4-6(5-8)7(9)10-3/h6H,4-5H2,1-3H3
InChIKeyCHNSELMPFKJRDN-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dimethylcyclobutane-1-carboxylate?
The IUPAC name of methyl 3,3-dimethylcyclobutane-1-carboxylate (CID 55296083) is methyl 3,3-dimethylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3,3-dimethylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 3,3-dimethylcyclobutane-1-carboxylate is COC(=O)C1CC(C)(C)C1.
What is the InChIKey of methyl 3,3-dimethylcyclobutane-1-carboxylate?
The InChIKey is CHNSELMPFKJRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(2)4-6(5-8)7(9)10-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 3,3-dimethylcyclobutane-1-carboxylate?
methyl 3,3-dimethylcyclobutane-1-carboxylate has a molecular weight of 142.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-dimethylcyclobutane-1-carboxylate is sourced from PubChem (CID 55296083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).