(2-methylcyclopropyl)methyl formate

C6H10O2 — CID 89103941

IUPAC(2-methylcyclopropyl)methyl formate
SMILESCC1CC1COC=O
InChIInChI=1S/C6H10O2/c1-5-2-6(5)3-8-4-7/h4-6H,2-3H2,1H3
InChIKeyRJCVBXVONYRNPT-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.82
Rot. Bonds3

About (2-methylcyclopropyl)methyl formate

(2-methylcyclopropyl)methyl formate (PubChem CID 89103941) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (2-methylcyclopropyl)methyl formate.

Molecular Properties

Compound Name(2-methylcyclopropyl)methyl formate
PubChem CID89103941
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(2-methylcyclopropyl)methyl formate
SMILESCC1CC1COC=O
InChIInChI=1S/C6H10O2/c1-5-2-6(5)3-8-4-7/h4-6H,2-3H2,1H3
InChIKeyRJCVBXVONYRNPT-UHFFFAOYSA-N
XLogP0.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)methyl formate?
The IUPAC name of (2-methylcyclopropyl)methyl formate (CID 89103941) is (2-methylcyclopropyl)methyl formate.
What is the SMILES notation for (2-methylcyclopropyl)methyl formate?
The canonical SMILES for (2-methylcyclopropyl)methyl formate is CC1CC1COC=O.
What is the InChIKey of (2-methylcyclopropyl)methyl formate?
The InChIKey is RJCVBXVONYRNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-5-2-6(5)3-8-4-7/h4-6H,2-3H2,1H3.
What are the key properties of (2-methylcyclopropyl)methyl formate?
(2-methylcyclopropyl)methyl formate has a molecular weight of 114.14 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)methyl formate is sourced from PubChem (CID 89103941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).