2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane

C10H14O2 — CID 163422201

IUPAC2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane
SMILESCC1(C2=CCCC=C2)OCCO1
InChIInChI=1S/C10H14O2/c1-10(11-7-8-12-10)9-5-3-2-4-6-9/h3,5-6H,2,4,7-8H2,1H3
InChIKeyAJKBXNBBSLKFPC-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.03
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane

2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane (PubChem CID 163422201) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane
PubChem CID163422201
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane
SMILESCC1(C2=CCCC=C2)OCCO1
InChIInChI=1S/C10H14O2/c1-10(11-7-8-12-10)9-5-3-2-4-6-9/h3,5-6H,2,4,7-8H2,1H3
InChIKeyAJKBXNBBSLKFPC-UHFFFAOYSA-N
XLogP2.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 144998255
ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene
CID 144774189
1,1-di(cyclohexa-1,5-dien-1-yl)-3,3,5-trimethylcyclohexane
CID 18702666
1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile
CID 149201129
1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde
CID 91507539
1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol
CID 143189862
2-cyclohexa-1,5-dien-1-yl-5-[(2E,4E)-5-(2-cyclohexa-1,5-dien-1-yl-4-hydroxy-2-methyl-6-oxo-1,3-dioxin-5-yl)penta-2,4-dienylidene]-2-methyl-1,3-dioxane-4,6-dione
CID 89375628
cyclohexa-1,5-dien-1-ol;ethane
CID 143526477
2-cyclohexa-1,5-dien-1-yl-5-[5-(2-cyclohexa-1,5-dien-1-yl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)-3-phenylpent-3-enylidene]-2-methyl-1,3-dioxane-4,6-dione
CID 91320486
methane;2-methylcyclohexa-1,3-diene
CID 143188946
2-(2-bromophenyl)-2-methyl-1,3-dioxolane
CID 615284
4-bromo-5-chloro-2-cyclohexa-1,5-dien-1-yl-6-fluoro-2-methyl-3H-1-benzofuran
CID 156856237

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane (CID 163422201) is 2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane is CC1(C2=CCCC=C2)OCCO1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane?
The InChIKey is AJKBXNBBSLKFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-10(11-7-8-12-10)9-5-3-2-4-6-9/h3,5-6H,2,4,7-8H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane?
2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane has a molecular weight of 166.22 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane is sourced from PubChem (CID 163422201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).