(1-methylcyclobutyl) 2,2-dimethylpropanoate

C10H18O2 — CID 155647415

IUPAC(1-methylcyclobutyl) 2,2-dimethylpropanoate
SMILESCC1(OC(=O)C(C)(C)C)CCC1
InChIInChI=1S/C10H18O2/c1-9(2,3)8(11)12-10(4)6-5-7-10/h5-7H2,1-4H3
InChIKeyLDKGELHIFICITH-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.52
Rot. Bonds1

About (1-methylcyclobutyl) 2,2-dimethylpropanoate

(1-methylcyclobutyl) 2,2-dimethylpropanoate (PubChem CID 155647415) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1-methylcyclobutyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(1-methylcyclobutyl) 2,2-dimethylpropanoate
PubChem CID155647415
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1-methylcyclobutyl) 2,2-dimethylpropanoate
SMILESCC1(OC(=O)C(C)(C)C)CCC1
InChIInChI=1S/C10H18O2/c1-9(2,3)8(11)12-10(4)6-5-7-10/h5-7H2,1-4H3
InChIKeyLDKGELHIFICITH-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclobutyl) 2,2-dimethylpropanoate?
The IUPAC name of (1-methylcyclobutyl) 2,2-dimethylpropanoate (CID 155647415) is (1-methylcyclobutyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (1-methylcyclobutyl) 2,2-dimethylpropanoate?
The canonical SMILES for (1-methylcyclobutyl) 2,2-dimethylpropanoate is CC1(OC(=O)C(C)(C)C)CCC1.
What is the InChIKey of (1-methylcyclobutyl) 2,2-dimethylpropanoate?
The InChIKey is LDKGELHIFICITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2,3)8(11)12-10(4)6-5-7-10/h5-7H2,1-4H3.
What are the key properties of (1-methylcyclobutyl) 2,2-dimethylpropanoate?
(1-methylcyclobutyl) 2,2-dimethylpropanoate has a molecular weight of 170.25 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclobutyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 155647415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).