2-cyclopropylethoxy formate

C6H10O3 — CID 174144088

IUPAC2-cyclopropylethoxy formate
SMILESO=COOCCC1CC1
InChIInChI=1S/C6H10O3/c7-5-9-8-4-3-6-1-2-6/h5-6H,1-4H2
InChIKeyVQLQZDZOYIKODG-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.89
Rot. Bonds5

About 2-cyclopropylethoxy formate

2-cyclopropylethoxy formate (PubChem CID 174144088) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-cyclopropylethoxy formate.

Molecular Properties

Compound Name2-cyclopropylethoxy formate
PubChem CID174144088
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-cyclopropylethoxy formate
SMILESO=COOCCC1CC1
InChIInChI=1S/C6H10O3/c7-5-9-8-4-3-6-1-2-6/h5-6H,1-4H2
InChIKeyVQLQZDZOYIKODG-UHFFFAOYSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethoxy formate?
The IUPAC name of 2-cyclopropylethoxy formate (CID 174144088) is 2-cyclopropylethoxy formate.
What is the SMILES notation for 2-cyclopropylethoxy formate?
The canonical SMILES for 2-cyclopropylethoxy formate is O=COOCCC1CC1.
What is the InChIKey of 2-cyclopropylethoxy formate?
The InChIKey is VQLQZDZOYIKODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c7-5-9-8-4-3-6-1-2-6/h5-6H,1-4H2.
What are the key properties of 2-cyclopropylethoxy formate?
2-cyclopropylethoxy formate has a molecular weight of 130.14 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethoxy formate is sourced from PubChem (CID 174144088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).