2-(3-ethyl-3-methylcyclobutyl)ethyl formate

C10H18O2 — CID 88860718

IUPAC2-(3-ethyl-3-methylcyclobutyl)ethyl formate
SMILESCCC1(C)CC(CCOC=O)C1
InChIInChI=1S/C10H18O2/c1-3-10(2)6-9(7-10)4-5-12-8-11/h8-9H,3-7H2,1-2H3
InChIKeyHQLKIUTWKXXYBX-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.38
Rot. Bonds5

About 2-(3-ethyl-3-methylcyclobutyl)ethyl formate

2-(3-ethyl-3-methylcyclobutyl)ethyl formate (PubChem CID 88860718) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(3-ethyl-3-methylcyclobutyl)ethyl formate.

Molecular Properties

Compound Name2-(3-ethyl-3-methylcyclobutyl)ethyl formate
PubChem CID88860718
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(3-ethyl-3-methylcyclobutyl)ethyl formate
SMILESCCC1(C)CC(CCOC=O)C1
InChIInChI=1S/C10H18O2/c1-3-10(2)6-9(7-10)4-5-12-8-11/h8-9H,3-7H2,1-2H3
InChIKeyHQLKIUTWKXXYBX-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-3-methylcyclobutyl)ethyl formate?
The IUPAC name of 2-(3-ethyl-3-methylcyclobutyl)ethyl formate (CID 88860718) is 2-(3-ethyl-3-methylcyclobutyl)ethyl formate.
What is the SMILES notation for 2-(3-ethyl-3-methylcyclobutyl)ethyl formate?
The canonical SMILES for 2-(3-ethyl-3-methylcyclobutyl)ethyl formate is CCC1(C)CC(CCOC=O)C1.
What is the InChIKey of 2-(3-ethyl-3-methylcyclobutyl)ethyl formate?
The InChIKey is HQLKIUTWKXXYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-10(2)6-9(7-10)4-5-12-8-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(3-ethyl-3-methylcyclobutyl)ethyl formate?
2-(3-ethyl-3-methylcyclobutyl)ethyl formate has a molecular weight of 170.25 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-3-methylcyclobutyl)ethyl formate is sourced from PubChem (CID 88860718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).