1,3-dioxole;pentane

C8H16O2 — CID 158996663

IUPAC1,3-dioxole;pentane
SMILESC1=COCO1.CCCCC
InChIInChI=1S/C5H12.C3H4O2/c1-3-5-4-2;1-2-5-3-4-1/h3-5H2,1-2H3;1-2H,3H2
InChIKeyJQUZSKAVDKMYLS-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.66
Rot. Bonds2

About 1,3-dioxole;pentane

1,3-dioxole;pentane (PubChem CID 158996663) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1,3-dioxole;pentane.

Molecular Properties

Compound Name1,3-dioxole;pentane
PubChem CID158996663
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1,3-dioxole;pentane
SMILESC1=COCO1.CCCCC
InChIInChI=1S/C5H12.C3H4O2/c1-3-5-4-2;1-2-5-3-4-1/h3-5H2,1-2H3;1-2H,3H2
InChIKeyJQUZSKAVDKMYLS-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxole;pentane?
The IUPAC name of 1,3-dioxole;pentane (CID 158996663) is 1,3-dioxole;pentane.
What is the SMILES notation for 1,3-dioxole;pentane?
The canonical SMILES for 1,3-dioxole;pentane is C1=COCO1.CCCCC.
What is the InChIKey of 1,3-dioxole;pentane?
The InChIKey is JQUZSKAVDKMYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H4O2/c1-3-5-4-2;1-2-5-3-4-1/h3-5H2,1-2H3;1-2H,3H2.
What are the key properties of 1,3-dioxole;pentane?
1,3-dioxole;pentane has a molecular weight of 144.21 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxole;pentane is sourced from PubChem (CID 158996663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).