(4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one

C13H20O3 — CID 10656769

IUPAC(4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one
SMILESC=C[C@@H](C1CCCCC1)[C@H]1OC(=O)O[C@H]1C
InChIInChI=1S/C13H20O3/c1-3-11(10-7-5-4-6-8-10)12-9(2)15-13(14)16-12/h3,9-12H,1,4-8H2,2H3/t9-,11-,12-/m0/s1
InChIKeyUMVPKVRKRMENEM-DLOVCJGASA-N
MW224.30 g/mol
LogP3.29
Rot. Bonds3

About (4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one

(4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one (PubChem CID 10656769) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one
PubChem CID10656769
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one
SMILESC=C[C@@H](C1CCCCC1)[C@H]1OC(=O)O[C@H]1C
InChIInChI=1S/C13H20O3/c1-3-11(10-7-5-4-6-8-10)12-9(2)15-13(14)16-12/h3,9-12H,1,4-8H2,2H3/t9-,11-,12-/m0/s1
InChIKeyUMVPKVRKRMENEM-DLOVCJGASA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one?
The IUPAC name of (4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one (CID 10656769) is (4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for (4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one?
The canonical SMILES for (4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one is C=C[C@@H](C1CCCCC1)[C@H]1OC(=O)O[C@H]1C.
What is the InChIKey of (4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one?
The InChIKey is UMVPKVRKRMENEM-DLOVCJGASA-N. The full InChI is InChI=1S/C13H20O3/c1-3-11(10-7-5-4-6-8-10)12-9(2)15-13(14)16-12/h3,9-12H,1,4-8H2,2H3/t9-,11-,12-/m0/s1.
What are the key properties of (4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one?
(4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one has a molecular weight of 224.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[(1S)-1-cyclohexylprop-2-enyl]-5-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 10656769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).