(2R)-2-cyclohexyl-3-ethynyloxirane

C10H14O — CID 101161141

IUPAC(2R)-2-cyclohexyl-3-ethynyloxirane
SMILESC#CC1O[C@@H]1C1CCCCC1
InChIInChI=1S/C10H14O/c1-2-9-10(11-9)8-6-4-3-5-7-8/h1,8-10H,3-7H2/t9?,10-/m1/s1
InChIKeyXRCBSTKQYYHSNI-QVDQXJPCSA-N
MW150.22 g/mol
LogP1.97
Rot. Bonds1

About (2R)-2-cyclohexyl-3-ethynyloxirane

(2R)-2-cyclohexyl-3-ethynyloxirane (PubChem CID 101161141) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-3-ethynyloxirane.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-3-ethynyloxirane
PubChem CID101161141
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(2R)-2-cyclohexyl-3-ethynyloxirane
SMILESC#CC1O[C@@H]1C1CCCCC1
InChIInChI=1S/C10H14O/c1-2-9-10(11-9)8-6-4-3-5-7-8/h1,8-10H,3-7H2/t9?,10-/m1/s1
InChIKeyXRCBSTKQYYHSNI-QVDQXJPCSA-N
XLogP1.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-3-ethynyloxirane?
The IUPAC name of (2R)-2-cyclohexyl-3-ethynyloxirane (CID 101161141) is (2R)-2-cyclohexyl-3-ethynyloxirane.
What is the SMILES notation for (2R)-2-cyclohexyl-3-ethynyloxirane?
The canonical SMILES for (2R)-2-cyclohexyl-3-ethynyloxirane is C#CC1O[C@@H]1C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-3-ethynyloxirane?
The InChIKey is XRCBSTKQYYHSNI-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H14O/c1-2-9-10(11-9)8-6-4-3-5-7-8/h1,8-10H,3-7H2/t9?,10-/m1/s1.
What are the key properties of (2R)-2-cyclohexyl-3-ethynyloxirane?
(2R)-2-cyclohexyl-3-ethynyloxirane has a molecular weight of 150.22 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-3-ethynyloxirane is sourced from PubChem (CID 101161141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).