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

C9H10O2 — CID 67067044

IUPAC4-cyclohexa-1,3-dien-1-yl-1,3-dioxole
SMILESC1=CCCC(C2=COCO2)=C1
InChIInChI=1S/C9H10O2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-2,4,6H,3,5,7H2
InChIKeyZTDIOVULHUIXHY-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.11
Rot. Bonds1

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

4-cyclohexa-1,3-dien-1-yl-1,3-dioxole (PubChem CID 67067044) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-1,3-dioxole.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-1,3-dioxole
PubChem CID67067044
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name4-cyclohexa-1,3-dien-1-yl-1,3-dioxole
SMILESC1=CCCC(C2=COCO2)=C1
InChIInChI=1S/C9H10O2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-2,4,6H,3,5,7H2
InChIKeyZTDIOVULHUIXHY-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.11
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-dioxole?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-1,3-dioxole (CID 67067044) is 4-cyclohexa-1,3-dien-1-yl-1,3-dioxole.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-1,3-dioxole?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-1,3-dioxole is C1=CCCC(C2=COCO2)=C1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-1,3-dioxole?
The InChIKey is ZTDIOVULHUIXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-2,4,6H,3,5,7H2.
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-1,3-dioxole?
4-cyclohexa-1,3-dien-1-yl-1,3-dioxole has a molecular weight of 150.18 g/mol, XLogP of 2.11, 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-dioxole is sourced from PubChem (CID 67067044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).