[3-(2-ethylbutyl)cyclobuten-1-yl] formate

C11H18O2 — CID 175281554

IUPAC[3-(2-ethylbutyl)cyclobuten-1-yl] formate
SMILESCCC(CC)CC1C=C(OC=O)C1
InChIInChI=1S/C11H18O2/c1-3-9(4-2)5-10-6-11(7-10)13-8-12/h6,8-10H,3-5,7H2,1-2H3
InChIKeyKFKHISFLPPOKAX-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.89
Rot. Bonds6

About [3-(2-ethylbutyl)cyclobuten-1-yl] formate

[3-(2-ethylbutyl)cyclobuten-1-yl] formate (PubChem CID 175281554) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [3-(2-ethylbutyl)cyclobuten-1-yl] formate.

Molecular Properties

Compound Name[3-(2-ethylbutyl)cyclobuten-1-yl] formate
PubChem CID175281554
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[3-(2-ethylbutyl)cyclobuten-1-yl] formate
SMILESCCC(CC)CC1C=C(OC=O)C1
InChIInChI=1S/C11H18O2/c1-3-9(4-2)5-10-6-11(7-10)13-8-12/h6,8-10H,3-5,7H2,1-2H3
InChIKeyKFKHISFLPPOKAX-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.89
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 [3-(2-ethylbutyl)cyclobuten-1-yl] formate?
The IUPAC name of [3-(2-ethylbutyl)cyclobuten-1-yl] formate (CID 175281554) is [3-(2-ethylbutyl)cyclobuten-1-yl] formate.
What is the SMILES notation for [3-(2-ethylbutyl)cyclobuten-1-yl] formate?
The canonical SMILES for [3-(2-ethylbutyl)cyclobuten-1-yl] formate is CCC(CC)CC1C=C(OC=O)C1.
What is the InChIKey of [3-(2-ethylbutyl)cyclobuten-1-yl] formate?
The InChIKey is KFKHISFLPPOKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-9(4-2)5-10-6-11(7-10)13-8-12/h6,8-10H,3-5,7H2,1-2H3.
What are the key properties of [3-(2-ethylbutyl)cyclobuten-1-yl] formate?
[3-(2-ethylbutyl)cyclobuten-1-yl] formate has a molecular weight of 182.26 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylbutyl)cyclobuten-1-yl] formate is sourced from PubChem (CID 175281554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).