4-cyclohexyl-4-ethenyl-1,3-dioxolan-2-one

C11H16O3 — CID 154719523

IUPAC4-cyclohexyl-4-ethenyl-1,3-dioxolan-2-one
SMILESC=CC1(C2CCCCC2)COC(=O)O1
InChIInChI=1S/C11H16O3/c1-2-11(8-13-10(12)14-11)9-6-4-3-5-7-9/h2,9H,1,3-8H2
InChIKeyLABDCSMHUGQNIY-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.66
Rot. Bonds2

About 4-cyclohexyl-4-ethenyl-1,3-dioxolan-2-one

4-cyclohexyl-4-ethenyl-1,3-dioxolan-2-one (PubChem CID 154719523) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-cyclohexyl-4-ethenyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-cyclohexyl-4-ethenyl-1,3-dioxolan-2-one
PubChem CID154719523
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-cyclohexyl-4-ethenyl-1,3-dioxolan-2-one
SMILESC=CC1(C2CCCCC2)COC(=O)O1
InChIInChI=1S/C11H16O3/c1-2-11(8-13-10(12)14-11)9-6-4-3-5-7-9/h2,9H,1,3-8H2
InChIKeyLABDCSMHUGQNIY-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Decyl-4-ethenyl-1,3-dioxolan-2-one
CID 154719701
(4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one
CID 11622498
4-Cyclohexyl-5-ethenyl-1,3-dioxolan-2-one
CID 72784828
4-(Cyclohexylmethyl)-5-methylidene-1,3-dioxolan-2-one
CID 89425104
4,4-Bis(2-cyclohexylethyl)-5-ethenyl-1,3-dioxolan-2-one
CID 101343771
8-(2-Ethoxy-2-methylbut-3-enyl)-1,4-dioxaspiro[4.5]decane
CID 157942810
4-Cyclohexyl-4-methyl-5-methylidene-1,3-dioxolan-2-one
CID 163475388
4,4-Bis(2-cyclohexylethyl)-5-(ethenoxymethyl)-5-ethenyl-1,3-dioxolan-2-one
CID 172811618
(4S,5S)-4-[(1R)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one
CID 10632923
(4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one
CID 10656769
[2-Cyclohexyl-1-(methoxymethoxy)but-3-en-2-yl] propanoate
CID 10967584
(4S,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one
CID 11287060

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-ethenyl-1,3-dioxolan-2-one?
The IUPAC name of 4-cyclohexyl-4-ethenyl-1,3-dioxolan-2-one (CID 154719523) is 4-cyclohexyl-4-ethenyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-cyclohexyl-4-ethenyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-cyclohexyl-4-ethenyl-1,3-dioxolan-2-one is C=CC1(C2CCCCC2)COC(=O)O1.
What is the InChIKey of 4-cyclohexyl-4-ethenyl-1,3-dioxolan-2-one?
The InChIKey is LABDCSMHUGQNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-11(8-13-10(12)14-11)9-6-4-3-5-7-9/h2,9H,1,3-8H2.
What are the key properties of 4-cyclohexyl-4-ethenyl-1,3-dioxolan-2-one?
4-cyclohexyl-4-ethenyl-1,3-dioxolan-2-one has a molecular weight of 196.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-ethenyl-1,3-dioxolan-2-one is sourced from PubChem (CID 154719523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).