tert-butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

C14H24O2 — CID 13379702

IUPACtert-butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESCC(C)=CC1C(C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C14H24O2/c1-9(2)8-10-11(14(10,6)7)12(15)16-13(3,4)5/h8,10-11H,1-7H3
InChIKeyYDNUIHHAHDMFJZ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds2

About tert-butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

tert-butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (PubChem CID 13379702) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
PubChem CID13379702
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nametert-butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESCC(C)=CC1C(C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C14H24O2/c1-9(2)8-10-11(14(10,6)7)12(15)16-13(3,4)5/h8,10-11H,1-7H3
InChIKeyYDNUIHHAHDMFJZ-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.57
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 tert-butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CID 13379702) is tert-butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is CC(C)=CC1C(C(=O)OC(C)(C)C)C1(C)C.
What is the InChIKey of tert-butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The InChIKey is YDNUIHHAHDMFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-9(2)8-10-11(14(10,6)7)12(15)16-13(3,4)5/h8,10-11H,1-7H3.
What are the key properties of tert-butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
tert-butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 224.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 13379702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).