2-cyclohexyl-3-[2-[(E)-3-cyclohexylprop-2-enoxy]ethyl]oxirane

C19H32O2 — CID 22768279

IUPAC2-cyclohexyl-3-[2-[(E)-3-cyclohexylprop-2-enoxy]ethyl]oxirane
SMILESC(=C/C1CCCCC1)\COCCC1OC1C1CCCCC1
InChIInChI=1S/C19H32O2/c1-3-8-16(9-4-1)10-7-14-20-15-13-18-19(21-18)17-11-5-2-6-12-17/h7,10,16-19H,1-6,8-9,11-15H2/b10-7+
InChIKeyRLJQBXRGHPTEFF-JXMROGBWSA-N
MW292.46 g/mol
LogP4.88
Rot. Bonds7

About 2-cyclohexyl-3-[2-[(E)-3-cyclohexylprop-2-enoxy]ethyl]oxirane

2-cyclohexyl-3-[2-[(E)-3-cyclohexylprop-2-enoxy]ethyl]oxirane (PubChem CID 22768279) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-cyclohexyl-3-[2-[(E)-3-cyclohexylprop-2-enoxy]ethyl]oxirane.

Molecular Properties

Compound Name2-cyclohexyl-3-[2-[(E)-3-cyclohexylprop-2-enoxy]ethyl]oxirane
PubChem CID22768279
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-cyclohexyl-3-[2-[(E)-3-cyclohexylprop-2-enoxy]ethyl]oxirane
SMILESC(=C/C1CCCCC1)\COCCC1OC1C1CCCCC1
InChIInChI=1S/C19H32O2/c1-3-8-16(9-4-1)10-7-14-20-15-13-18-19(21-18)17-11-5-2-6-12-17/h7,10,16-19H,1-6,8-9,11-15H2/b10-7+
InChIKeyRLJQBXRGHPTEFF-JXMROGBWSA-N
XLogP4.88
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[2-[(E)-3-cyclohexylprop-2-enoxy]ethyl]oxirane?
The IUPAC name of 2-cyclohexyl-3-[2-[(E)-3-cyclohexylprop-2-enoxy]ethyl]oxirane (CID 22768279) is 2-cyclohexyl-3-[2-[(E)-3-cyclohexylprop-2-enoxy]ethyl]oxirane.
What is the SMILES notation for 2-cyclohexyl-3-[2-[(E)-3-cyclohexylprop-2-enoxy]ethyl]oxirane?
The canonical SMILES for 2-cyclohexyl-3-[2-[(E)-3-cyclohexylprop-2-enoxy]ethyl]oxirane is C(=C/C1CCCCC1)\COCCC1OC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-[2-[(E)-3-cyclohexylprop-2-enoxy]ethyl]oxirane?
The InChIKey is RLJQBXRGHPTEFF-JXMROGBWSA-N. The full InChI is InChI=1S/C19H32O2/c1-3-8-16(9-4-1)10-7-14-20-15-13-18-19(21-18)17-11-5-2-6-12-17/h7,10,16-19H,1-6,8-9,11-15H2/b10-7+.
What are the key properties of 2-cyclohexyl-3-[2-[(E)-3-cyclohexylprop-2-enoxy]ethyl]oxirane?
2-cyclohexyl-3-[2-[(E)-3-cyclohexylprop-2-enoxy]ethyl]oxirane has a molecular weight of 292.46 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[2-[(E)-3-cyclohexylprop-2-enoxy]ethyl]oxirane is sourced from PubChem (CID 22768279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).