methyl 2,2,3,3-tetramethyl-1-(3-methylpent-1-ynyl)cyclopropane-1-carboxylate

C15H24O2 — CID 535400

IUPACmethyl 2,2,3,3-tetramethyl-1-(3-methylpent-1-ynyl)cyclopropane-1-carboxylate
SMILESCCC(C)C#CC1(C(=O)OC)C(C)(C)C1(C)C
InChIInChI=1S/C15H24O2/c1-8-11(2)9-10-15(12(16)17-7)13(3,4)14(15,5)6/h11H,8H2,1-7H3
InChIKeyHYKZRVSZRYACJK-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.26
Rot. Bonds2

About methyl 2,2,3,3-tetramethyl-1-(3-methylpent-1-ynyl)cyclopropane-1-carboxylate

methyl 2,2,3,3-tetramethyl-1-(3-methylpent-1-ynyl)cyclopropane-1-carboxylate (PubChem CID 535400) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is methyl 2,2,3,3-tetramethyl-1-(3-methylpent-1-ynyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,3,3-tetramethyl-1-(3-methylpent-1-ynyl)cyclopropane-1-carboxylate
PubChem CID535400
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namemethyl 2,2,3,3-tetramethyl-1-(3-methylpent-1-ynyl)cyclopropane-1-carboxylate
SMILESCCC(C)C#CC1(C(=O)OC)C(C)(C)C1(C)C
InChIInChI=1S/C15H24O2/c1-8-11(2)9-10-15(12(16)17-7)13(3,4)14(15,5)6/h11H,8H2,1-7H3
InChIKeyHYKZRVSZRYACJK-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2,3,3-tetramethyl-1-(3-methylpent-1-ynyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2,2,3,3-tetramethyl-1-(3-methylpent-1-ynyl)cyclopropane-1-carboxylate (CID 535400) is methyl 2,2,3,3-tetramethyl-1-(3-methylpent-1-ynyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2,2,3,3-tetramethyl-1-(3-methylpent-1-ynyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2,2,3,3-tetramethyl-1-(3-methylpent-1-ynyl)cyclopropane-1-carboxylate is CCC(C)C#CC1(C(=O)OC)C(C)(C)C1(C)C.
What is the InChIKey of methyl 2,2,3,3-tetramethyl-1-(3-methylpent-1-ynyl)cyclopropane-1-carboxylate?
The InChIKey is HYKZRVSZRYACJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-8-11(2)9-10-15(12(16)17-7)13(3,4)14(15,5)6/h11H,8H2,1-7H3.
What are the key properties of methyl 2,2,3,3-tetramethyl-1-(3-methylpent-1-ynyl)cyclopropane-1-carboxylate?
methyl 2,2,3,3-tetramethyl-1-(3-methylpent-1-ynyl)cyclopropane-1-carboxylate has a molecular weight of 236.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,3,3-tetramethyl-1-(3-methylpent-1-ynyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 535400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).