2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane

C14H24O2 — CID 5356479

IUPAC2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane
SMILESCC(C)=CCC/C(C)=C\C1OC(C)C(C)O1
InChIInChI=1S/C14H24O2/c1-10(2)7-6-8-11(3)9-14-15-12(4)13(5)16-14/h7,9,12-14H,6,8H2,1-5H3/b11-9-
InChIKeyXPCRVJQZWNHAQD-LUAWRHEFSA-N
MW224.34 g/mol
LogP3.83
Rot. Bonds4

About 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane

2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane (PubChem CID 5356479) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane
PubChem CID5356479
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane
SMILESCC(C)=CCC/C(C)=C\C1OC(C)C(C)O1
InChIInChI=1S/C14H24O2/c1-10(2)7-6-8-11(3)9-14-15-12(4)13(5)16-14/h7,9,12-14H,6,8H2,1-5H3/b11-9-
InChIKeyXPCRVJQZWNHAQD-LUAWRHEFSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.83
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-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane?
The IUPAC name of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane (CID 5356479) is 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane.
What is the SMILES notation for 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane?
The canonical SMILES for 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane is CC(C)=CCC/C(C)=C\C1OC(C)C(C)O1.
What is the InChIKey of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane?
The InChIKey is XPCRVJQZWNHAQD-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)7-6-8-11(3)9-14-15-12(4)13(5)16-14/h7,9,12-14H,6,8H2,1-5H3/b11-9-.
What are the key properties of 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane?
2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane has a molecular weight of 224.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-4,5-dimethyl-1,3-dioxolane is sourced from PubChem (CID 5356479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).