4-cyclohexa-1,3-dien-1-yl-1,3-dioxolane

C9H12O2 — CID 69258182

IUPAC4-cyclohexa-1,3-dien-1-yl-1,3-dioxolane
SMILESC1=CCCC(C2COCO2)=C1
InChIInChI=1S/C9H12O2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-2,4,9H,3,5-7H2
InChIKeyDKEPMCLVSBQYKJ-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.64
Rot. Bonds1

About 4-cyclohexa-1,3-dien-1-yl-1,3-dioxolane

4-cyclohexa-1,3-dien-1-yl-1,3-dioxolane (PubChem CID 69258182) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-1,3-dioxolane.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-1,3-dioxolane
PubChem CID69258182
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-cyclohexa-1,3-dien-1-yl-1,3-dioxolane
SMILESC1=CCCC(C2COCO2)=C1
InChIInChI=1S/C9H12O2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-2,4,9H,3,5-7H2
InChIKeyDKEPMCLVSBQYKJ-UHFFFAOYSA-N
XLogP1.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yl-1,3-dioxolane?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-1,3-dioxolane (CID 69258182) is 4-cyclohexa-1,3-dien-1-yl-1,3-dioxolane.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-1,3-dioxolane?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-1,3-dioxolane is C1=CCCC(C2COCO2)=C1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-1,3-dioxolane?
The InChIKey is DKEPMCLVSBQYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-2,4,9H,3,5-7H2.
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-1,3-dioxolane?
4-cyclohexa-1,3-dien-1-yl-1,3-dioxolane has a molecular weight of 152.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-1,3-dioxolane is sourced from PubChem (CID 69258182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).