6-butan-2-yl-5,7-dioxaspiro[2.5]octane

C10H18O2 — CID 143310520

IUPAC6-butan-2-yl-5,7-dioxaspiro[2.5]octane
SMILESCCC(C)C1OCC2(CC2)CO1
InChIInChI=1S/C10H18O2/c1-3-8(2)9-11-6-10(4-5-10)7-12-9/h8-9H,3-7H2,1-2H3
InChIKeyFABAFWYVVBGAMA-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.19
Rot. Bonds2

About 6-butan-2-yl-5,7-dioxaspiro[2.5]octane

6-butan-2-yl-5,7-dioxaspiro[2.5]octane (PubChem CID 143310520) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 6-butan-2-yl-5,7-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name6-butan-2-yl-5,7-dioxaspiro[2.5]octane
PubChem CID143310520
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name6-butan-2-yl-5,7-dioxaspiro[2.5]octane
SMILESCCC(C)C1OCC2(CC2)CO1
InChIInChI=1S/C10H18O2/c1-3-8(2)9-11-6-10(4-5-10)7-12-9/h8-9H,3-7H2,1-2H3
InChIKeyFABAFWYVVBGAMA-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5,7-dioxaspiro[2.5]octane?
The IUPAC name of 6-butan-2-yl-5,7-dioxaspiro[2.5]octane (CID 143310520) is 6-butan-2-yl-5,7-dioxaspiro[2.5]octane.
What is the SMILES notation for 6-butan-2-yl-5,7-dioxaspiro[2.5]octane?
The canonical SMILES for 6-butan-2-yl-5,7-dioxaspiro[2.5]octane is CCC(C)C1OCC2(CC2)CO1.
What is the InChIKey of 6-butan-2-yl-5,7-dioxaspiro[2.5]octane?
The InChIKey is FABAFWYVVBGAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-8(2)9-11-6-10(4-5-10)7-12-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 6-butan-2-yl-5,7-dioxaspiro[2.5]octane?
6-butan-2-yl-5,7-dioxaspiro[2.5]octane has a molecular weight of 170.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5,7-dioxaspiro[2.5]octane is sourced from PubChem (CID 143310520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).