2-[5-(oxolan-2-yl)hexa-1,5-dien-2-yl]oxolane

C14H22O2 — CID 71372443

IUPAC2-[5-(oxolan-2-yl)hexa-1,5-dien-2-yl]oxolane
SMILESC=C(CCC(=C)C1CCCO1)C1CCCO1
InChIInChI=1S/C14H22O2/c1-11(13-5-3-9-15-13)7-8-12(2)14-6-4-10-16-14/h13-14H,1-10H2
InChIKeyOIHJRNHTMYONDW-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.24
Rot. Bonds5

About 2-[5-(oxolan-2-yl)hexa-1,5-dien-2-yl]oxolane

2-[5-(oxolan-2-yl)hexa-1,5-dien-2-yl]oxolane (PubChem CID 71372443) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[5-(oxolan-2-yl)hexa-1,5-dien-2-yl]oxolane.

Molecular Properties

Compound Name2-[5-(oxolan-2-yl)hexa-1,5-dien-2-yl]oxolane
PubChem CID71372443
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-[5-(oxolan-2-yl)hexa-1,5-dien-2-yl]oxolane
SMILESC=C(CCC(=C)C1CCCO1)C1CCCO1
InChIInChI=1S/C14H22O2/c1-11(13-5-3-9-15-13)7-8-12(2)14-6-4-10-16-14/h13-14H,1-10H2
InChIKeyOIHJRNHTMYONDW-UHFFFAOYSA-N
XLogP3.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxolan-2-yl)hexa-1,5-dien-2-yl]oxolane?
The IUPAC name of 2-[5-(oxolan-2-yl)hexa-1,5-dien-2-yl]oxolane (CID 71372443) is 2-[5-(oxolan-2-yl)hexa-1,5-dien-2-yl]oxolane.
What is the SMILES notation for 2-[5-(oxolan-2-yl)hexa-1,5-dien-2-yl]oxolane?
The canonical SMILES for 2-[5-(oxolan-2-yl)hexa-1,5-dien-2-yl]oxolane is C=C(CCC(=C)C1CCCO1)C1CCCO1.
What is the InChIKey of 2-[5-(oxolan-2-yl)hexa-1,5-dien-2-yl]oxolane?
The InChIKey is OIHJRNHTMYONDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(13-5-3-9-15-13)7-8-12(2)14-6-4-10-16-14/h13-14H,1-10H2.
What are the key properties of 2-[5-(oxolan-2-yl)hexa-1,5-dien-2-yl]oxolane?
2-[5-(oxolan-2-yl)hexa-1,5-dien-2-yl]oxolane has a molecular weight of 222.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxolan-2-yl)hexa-1,5-dien-2-yl]oxolane is sourced from PubChem (CID 71372443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).