2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-1,3-dioxolane

C12H18O2 — CID 143642405

IUPAC2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-1,3-dioxolane
SMILESCC(C)C1COC(C2C=CC=CC2)O1
InChIInChI=1S/C12H18O2/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10/h3-6,9-12H,7-8H2,1-2H3
InChIKeyHYUABCXDJTVZKL-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.52
Rot. Bonds2

About 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-1,3-dioxolane

2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-1,3-dioxolane (PubChem CID 143642405) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-1,3-dioxolane
PubChem CID143642405
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-1,3-dioxolane
SMILESCC(C)C1COC(C2C=CC=CC2)O1
InChIInChI=1S/C12H18O2/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10/h3-6,9-12H,7-8H2,1-2H3
InChIKeyHYUABCXDJTVZKL-UHFFFAOYSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-1,3-dioxolane?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-1,3-dioxolane (CID 143642405) is 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-1,3-dioxolane?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-1,3-dioxolane is CC(C)C1COC(C2C=CC=CC2)O1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-1,3-dioxolane?
The InChIKey is HYUABCXDJTVZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10/h3-6,9-12H,7-8H2,1-2H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-1,3-dioxolane?
2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-1,3-dioxolane has a molecular weight of 194.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 143642405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).