methyl 2-(3,3-dimethyl-2-methylidene-4-propan-2-ylcyclobutyl)acetate

C13H22O2 — CID 74078360

IUPACmethyl 2-(3,3-dimethyl-2-methylidene-4-propan-2-ylcyclobutyl)acetate
SMILESC=C1C(CC(=O)OC)C(C(C)C)C1(C)C
InChIInChI=1S/C13H22O2/c1-8(2)12-10(7-11(14)15-6)9(3)13(12,4)5/h8,10,12H,3,7H2,1-2,4-6H3
InChIKeyFUIDZXOFRKHXFU-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.03
Rot. Bonds3

About methyl 2-(3,3-dimethyl-2-methylidene-4-propan-2-ylcyclobutyl)acetate

methyl 2-(3,3-dimethyl-2-methylidene-4-propan-2-ylcyclobutyl)acetate (PubChem CID 74078360) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is methyl 2-(3,3-dimethyl-2-methylidene-4-propan-2-ylcyclobutyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,3-dimethyl-2-methylidene-4-propan-2-ylcyclobutyl)acetate
PubChem CID74078360
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Namemethyl 2-(3,3-dimethyl-2-methylidene-4-propan-2-ylcyclobutyl)acetate
SMILESC=C1C(CC(=O)OC)C(C(C)C)C1(C)C
InChIInChI=1S/C13H22O2/c1-8(2)12-10(7-11(14)15-6)9(3)13(12,4)5/h8,10,12H,3,7H2,1-2,4-6H3
InChIKeyFUIDZXOFRKHXFU-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,3-dimethyl-2-methylidene-4-propan-2-ylcyclobutyl)acetate?
The IUPAC name of methyl 2-(3,3-dimethyl-2-methylidene-4-propan-2-ylcyclobutyl)acetate (CID 74078360) is methyl 2-(3,3-dimethyl-2-methylidene-4-propan-2-ylcyclobutyl)acetate.
What is the SMILES notation for methyl 2-(3,3-dimethyl-2-methylidene-4-propan-2-ylcyclobutyl)acetate?
The canonical SMILES for methyl 2-(3,3-dimethyl-2-methylidene-4-propan-2-ylcyclobutyl)acetate is C=C1C(CC(=O)OC)C(C(C)C)C1(C)C.
What is the InChIKey of methyl 2-(3,3-dimethyl-2-methylidene-4-propan-2-ylcyclobutyl)acetate?
The InChIKey is FUIDZXOFRKHXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-8(2)12-10(7-11(14)15-6)9(3)13(12,4)5/h8,10,12H,3,7H2,1-2,4-6H3.
What are the key properties of methyl 2-(3,3-dimethyl-2-methylidene-4-propan-2-ylcyclobutyl)acetate?
methyl 2-(3,3-dimethyl-2-methylidene-4-propan-2-ylcyclobutyl)acetate has a molecular weight of 210.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,3-dimethyl-2-methylidene-4-propan-2-ylcyclobutyl)acetate is sourced from PubChem (CID 74078360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).