[2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate

C16H28O2 — CID 101386332

IUPAC[2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate
SMILESCC(C)=C(OC(=O)C(C)(C)C)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H28O2/c1-10(2)11(18-13(17)14(3,4)5)12-15(6,7)16(12,8)9/h12H,1-9H3
InChIKeyOOFUJYXURKCGMA-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.55
Rot. Bonds2

About [2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate

[2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate (PubChem CID 101386332) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is [2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate
PubChem CID101386332
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name[2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate
SMILESCC(C)=C(OC(=O)C(C)(C)C)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H28O2/c1-10(2)11(18-13(17)14(3,4)5)12-15(6,7)16(12,8)9/h12H,1-9H3
InChIKeyOOFUJYXURKCGMA-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate (CID 101386332) is [2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate is CC(C)=C(OC(=O)C(C)(C)C)C1C(C)(C)C1(C)C.
What is the InChIKey of [2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate?
The InChIKey is OOFUJYXURKCGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-10(2)11(18-13(17)14(3,4)5)12-15(6,7)16(12,8)9/h12H,1-9H3.
What are the key properties of [2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate?
[2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate has a molecular weight of 252.40 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2,2,3,3-tetramethylcyclopropyl)prop-1-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 101386332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).