[(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate

C8H12O3 — CID 88572391

IUPAC[(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate
SMILESCC(C)C(=O)[C@H]1C[C@H]1OC=O
InChIInChI=1S/C8H12O3/c1-5(2)8(10)6-3-7(6)11-4-9/h4-7H,3H2,1-2H3/t6-,7+/m0/s1
InChIKeyCHEXRVNXPOIIIF-NKWVEPMBSA-N
MW156.18 g/mol
LogP0.77
Rot. Bonds4

About [(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate

[(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate (PubChem CID 88572391) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is [(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate.

Molecular Properties

Compound Name[(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate
PubChem CID88572391
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name[(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate
SMILESCC(C)C(=O)[C@H]1C[C@H]1OC=O
InChIInChI=1S/C8H12O3/c1-5(2)8(10)6-3-7(6)11-4-9/h4-7H,3H2,1-2H3/t6-,7+/m0/s1
InChIKeyCHEXRVNXPOIIIF-NKWVEPMBSA-N
XLogP0.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate?
The IUPAC name of [(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate (CID 88572391) is [(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate.
What is the SMILES notation for [(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate?
The canonical SMILES for [(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate is CC(C)C(=O)[C@H]1C[C@H]1OC=O.
What is the InChIKey of [(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate?
The InChIKey is CHEXRVNXPOIIIF-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H12O3/c1-5(2)8(10)6-3-7(6)11-4-9/h4-7H,3H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of [(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate?
[(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate has a molecular weight of 156.18 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(2-methylpropanoyl)cyclopropyl] formate is sourced from PubChem (CID 88572391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).