5-butan-2-yloxybicyclo[2.1.0]pentane

C9H16O — CID 90886717

IUPAC5-butan-2-yloxybicyclo[2.1.0]pentane
SMILESCCC(C)OC1C2CCC21
InChIInChI=1S/C9H16O/c1-3-6(2)10-9-7-4-5-8(7)9/h6-9H,3-5H2,1-2H3
InChIKeyUKNNVTMSORAKHZ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.21
Rot. Bonds3

About 5-butan-2-yloxybicyclo[2.1.0]pentane

5-butan-2-yloxybicyclo[2.1.0]pentane (PubChem CID 90886717) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-butan-2-yloxybicyclo[2.1.0]pentane.

Molecular Properties

Compound Name5-butan-2-yloxybicyclo[2.1.0]pentane
PubChem CID90886717
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name5-butan-2-yloxybicyclo[2.1.0]pentane
SMILESCCC(C)OC1C2CCC21
InChIInChI=1S/C9H16O/c1-3-6(2)10-9-7-4-5-8(7)9/h6-9H,3-5H2,1-2H3
InChIKeyUKNNVTMSORAKHZ-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yloxybicyclo[2.1.0]pentane?
The IUPAC name of 5-butan-2-yloxybicyclo[2.1.0]pentane (CID 90886717) is 5-butan-2-yloxybicyclo[2.1.0]pentane.
What is the SMILES notation for 5-butan-2-yloxybicyclo[2.1.0]pentane?
The canonical SMILES for 5-butan-2-yloxybicyclo[2.1.0]pentane is CCC(C)OC1C2CCC21.
What is the InChIKey of 5-butan-2-yloxybicyclo[2.1.0]pentane?
The InChIKey is UKNNVTMSORAKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-6(2)10-9-7-4-5-8(7)9/h6-9H,3-5H2,1-2H3.
What are the key properties of 5-butan-2-yloxybicyclo[2.1.0]pentane?
5-butan-2-yloxybicyclo[2.1.0]pentane has a molecular weight of 140.23 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yloxybicyclo[2.1.0]pentane is sourced from PubChem (CID 90886717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).