(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbut-3-enoate

C15H24O2 — CID 58602016

IUPAC(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbut-3-enoate
SMILESC=C(C)CC(=O)OCC1CC(C(=C)C)C1(C)C
InChIInChI=1S/C15H24O2/c1-10(2)7-14(16)17-9-12-8-13(11(3)4)15(12,5)6/h12-13H,1,3,7-9H2,2,4-6H3
InChIKeyDYIOGDMFNJSASB-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.73
Rot. Bonds5

About (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbut-3-enoate

(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbut-3-enoate (PubChem CID 58602016) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbut-3-enoate.

Molecular Properties

Compound Name(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbut-3-enoate
PubChem CID58602016
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbut-3-enoate
SMILESC=C(C)CC(=O)OCC1CC(C(=C)C)C1(C)C
InChIInChI=1S/C15H24O2/c1-10(2)7-14(16)17-9-12-8-13(11(3)4)15(12,5)6/h12-13H,1,3,7-9H2,2,4-6H3
InChIKeyDYIOGDMFNJSASB-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.73
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 (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbut-3-enoate?
The IUPAC name of (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbut-3-enoate (CID 58602016) is (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbut-3-enoate.
What is the SMILES notation for (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbut-3-enoate?
The canonical SMILES for (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbut-3-enoate is C=C(C)CC(=O)OCC1CC(C(=C)C)C1(C)C.
What is the InChIKey of (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbut-3-enoate?
The InChIKey is DYIOGDMFNJSASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)7-14(16)17-9-12-8-13(11(3)4)15(12,5)6/h12-13H,1,3,7-9H2,2,4-6H3.
What are the key properties of (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbut-3-enoate?
(2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbut-3-enoate has a molecular weight of 236.35 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3-prop-1-en-2-ylcyclobutyl)methyl 3-methylbut-3-enoate is sourced from PubChem (CID 58602016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).