(2R,3S)-2-cyclohexyl-3-ethenyloxolane

C12H20O — CID 10877738

IUPAC(2R,3S)-2-cyclohexyl-3-ethenyloxolane
SMILESC=C[C@@H]1CCO[C@@H]1C1CCCCC1
InChIInChI=1S/C12H20O/c1-2-10-8-9-13-12(10)11-6-4-3-5-7-11/h2,10-12H,1,3-9H2/t10-,12+/m1/s1
InChIKeyHSQFYBSDJKVSAU-PWSUYJOCSA-N
MW180.29 g/mol
LogP3.16
Rot. Bonds2

About (2R,3S)-2-cyclohexyl-3-ethenyloxolane

(2R,3S)-2-cyclohexyl-3-ethenyloxolane (PubChem CID 10877738) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2R,3S)-2-cyclohexyl-3-ethenyloxolane.

Molecular Properties

Compound Name(2R,3S)-2-cyclohexyl-3-ethenyloxolane
PubChem CID10877738
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2R,3S)-2-cyclohexyl-3-ethenyloxolane
SMILESC=C[C@@H]1CCO[C@@H]1C1CCCCC1
InChIInChI=1S/C12H20O/c1-2-10-8-9-13-12(10)11-6-4-3-5-7-11/h2,10-12H,1,3-9H2/t10-,12+/m1/s1
InChIKeyHSQFYBSDJKVSAU-PWSUYJOCSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2R,3S)-2-cyclohexyl-3-ethenyloxolane?
The IUPAC name of (2R,3S)-2-cyclohexyl-3-ethenyloxolane (CID 10877738) is (2R,3S)-2-cyclohexyl-3-ethenyloxolane.
What is the SMILES notation for (2R,3S)-2-cyclohexyl-3-ethenyloxolane?
The canonical SMILES for (2R,3S)-2-cyclohexyl-3-ethenyloxolane is C=C[C@@H]1CCO[C@@H]1C1CCCCC1.
What is the InChIKey of (2R,3S)-2-cyclohexyl-3-ethenyloxolane?
The InChIKey is HSQFYBSDJKVSAU-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H20O/c1-2-10-8-9-13-12(10)11-6-4-3-5-7-11/h2,10-12H,1,3-9H2/t10-,12+/m1/s1.
What are the key properties of (2R,3S)-2-cyclohexyl-3-ethenyloxolane?
(2R,3S)-2-cyclohexyl-3-ethenyloxolane has a molecular weight of 180.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-cyclohexyl-3-ethenyloxolane is sourced from PubChem (CID 10877738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).