(4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one

C11H16O3 — CID 11622498

IUPAC(4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one
SMILESC=C[C@@H]1OC(=O)O[C@@H]1C1CCCCC1
InChIInChI=1S/C11H16O3/c1-2-9-10(14-11(12)13-9)8-6-4-3-5-7-8/h2,8-10H,1,3-7H2/t9-,10+/m0/s1
InChIKeyCJIYHTAOTPLZSX-VHSXEESVSA-N
MW196.25 g/mol
LogP2.66
Rot. Bonds2

About (4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one

(4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one (PubChem CID 11622498) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one
PubChem CID11622498
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one
SMILESC=C[C@@H]1OC(=O)O[C@@H]1C1CCCCC1
InChIInChI=1S/C11H16O3/c1-2-9-10(14-11(12)13-9)8-6-4-3-5-7-8/h2,8-10H,1,3-7H2/t9-,10+/m0/s1
InChIKeyCJIYHTAOTPLZSX-VHSXEESVSA-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-[(4-Fluorocyclohexyl)methyl]-5-methylidene-1,3-dioxolan-2-one
CID 89425098
4-(4-Fluorocyclohexyl)-5-methylidene-1,3-dioxolan-2-one
CID 89658852
(4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one
CID 10103862
1-Cyclohexylallyl methyl carbonate
CID 11333087
4-Cyclohexyl-4-ethenyl-1,3-dioxolan-2-one
CID 154719523
4-Decyl-4-ethenyl-1,3-dioxolan-2-one
CID 154719701
(4S,5R)-4-ethenyl-5-nonyl-1,3-dioxolan-2-one
CID 101776255
4-Ethenyl-5-pentyl-1,3-dioxolan-2-one
CID 15196293
2-Cyclohexyl-4-vinyl-[1,3]dioxolane
CID 19388277
4-Ethenyl-2-(2-methylcyclohexyl)-1,3-dioxolane
CID 19388278
8-(1-(Allyloxy)allyl)-1,4-dioxaspiro[4.5]decane
CID 58562707
8-(1-(Allyloxy)but-3-en-1-yl)-1,4-dioxaspiro[4.5]decane
CID 58562838

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one?
The IUPAC name of (4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one (CID 11622498) is (4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one.
What is the SMILES notation for (4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one?
The canonical SMILES for (4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one is C=C[C@@H]1OC(=O)O[C@@H]1C1CCCCC1.
What is the InChIKey of (4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one?
The InChIKey is CJIYHTAOTPLZSX-VHSXEESVSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-9-10(14-11(12)13-9)8-6-4-3-5-7-8/h2,8-10H,1,3-7H2/t9-,10+/m0/s1.
What are the key properties of (4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one?
(4R,5S)-4-cyclohexyl-5-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 (4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one is sourced from PubChem (CID 11622498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).