2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane

C10H16O2 — CID 10419573

IUPAC2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane
SMILESC=C/C=C/CCCC1OCCO1
InChIInChI=1S/C10H16O2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h2-4,10H,1,5-9H2/b4-3+
InChIKeyJHIBULJCZVBHAJ-ONEGZZNKSA-N
MW168.24 g/mol
LogP2.27
Rot. Bonds5

About 2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane

2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane (PubChem CID 10419573) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane
PubChem CID10419573
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane
SMILESC=C/C=C/CCCC1OCCO1
InChIInChI=1S/C10H16O2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h2-4,10H,1,5-9H2/b4-3+
InChIKeyJHIBULJCZVBHAJ-ONEGZZNKSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane?
The IUPAC name of 2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane (CID 10419573) is 2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane?
The canonical SMILES for 2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane is C=C/C=C/CCCC1OCCO1.
What is the InChIKey of 2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane?
The InChIKey is JHIBULJCZVBHAJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h2-4,10H,1,5-9H2/b4-3+.
What are the key properties of 2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane?
2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane has a molecular weight of 168.24 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane is sourced from PubChem (CID 10419573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).