[2-methyl-3-(2-methylprop-1-enyl)cyclopropyl] formate

C9H14O2 — CID 57177362

IUPAC[2-methyl-3-(2-methylprop-1-enyl)cyclopropyl] formate
SMILESCC(C)=CC1C(C)C1OC=O
InChIInChI=1S/C9H14O2/c1-6(2)4-8-7(3)9(8)11-5-10/h4-5,7-9H,1-3H3
InChIKeyIVOGBUYRXHOEQG-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.76
Rot. Bonds3

About [2-methyl-3-(2-methylprop-1-enyl)cyclopropyl] formate

[2-methyl-3-(2-methylprop-1-enyl)cyclopropyl] formate (PubChem CID 57177362) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is [2-methyl-3-(2-methylprop-1-enyl)cyclopropyl] formate.

Molecular Properties

Compound Name[2-methyl-3-(2-methylprop-1-enyl)cyclopropyl] formate
PubChem CID57177362
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name[2-methyl-3-(2-methylprop-1-enyl)cyclopropyl] formate
SMILESCC(C)=CC1C(C)C1OC=O
InChIInChI=1S/C9H14O2/c1-6(2)4-8-7(3)9(8)11-5-10/h4-5,7-9H,1-3H3
InChIKeyIVOGBUYRXHOEQG-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(2-methylprop-1-enyl)cyclopropyl] formate?
The IUPAC name of [2-methyl-3-(2-methylprop-1-enyl)cyclopropyl] formate (CID 57177362) is [2-methyl-3-(2-methylprop-1-enyl)cyclopropyl] formate.
What is the SMILES notation for [2-methyl-3-(2-methylprop-1-enyl)cyclopropyl] formate?
The canonical SMILES for [2-methyl-3-(2-methylprop-1-enyl)cyclopropyl] formate is CC(C)=CC1C(C)C1OC=O.
What is the InChIKey of [2-methyl-3-(2-methylprop-1-enyl)cyclopropyl] formate?
The InChIKey is IVOGBUYRXHOEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6(2)4-8-7(3)9(8)11-5-10/h4-5,7-9H,1-3H3.
What are the key properties of [2-methyl-3-(2-methylprop-1-enyl)cyclopropyl] formate?
[2-methyl-3-(2-methylprop-1-enyl)cyclopropyl] formate has a molecular weight of 154.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(2-methylprop-1-enyl)cyclopropyl] formate is sourced from PubChem (CID 57177362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).