2-[3-(cyclohexylidenemethoxy)propyl]oxirane

C12H20O2 — CID 176605059

IUPAC2-[3-(cyclohexylidenemethoxy)propyl]oxirane
SMILESC(OCCCC1CO1)=C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-5-11(6-3-1)9-13-8-4-7-12-10-14-12/h9,12H,1-8,10H2
InChIKeyIKBXIYRORLVGSH-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.03
Rot. Bonds5

About 2-[3-(cyclohexylidenemethoxy)propyl]oxirane

2-[3-(cyclohexylidenemethoxy)propyl]oxirane (PubChem CID 176605059) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[3-(cyclohexylidenemethoxy)propyl]oxirane.

Molecular Properties

Compound Name2-[3-(cyclohexylidenemethoxy)propyl]oxirane
PubChem CID176605059
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-[3-(cyclohexylidenemethoxy)propyl]oxirane
SMILESC(OCCCC1CO1)=C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-5-11(6-3-1)9-13-8-4-7-12-10-14-12/h9,12H,1-8,10H2
InChIKeyIKBXIYRORLVGSH-UHFFFAOYSA-N
XLogP3.03
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-(Cyclohexylidenemethoxy)ethyl]oxirane
CID 176603494
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxirane
CID 176605163
2-[3-(Cyclopentylidenemethoxy)propyl]oxirane
CID 176605295

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]oxirane?
The IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]oxirane (CID 176605059) is 2-[3-(cyclohexylidenemethoxy)propyl]oxirane.
What is the SMILES notation for 2-[3-(cyclohexylidenemethoxy)propyl]oxirane?
The canonical SMILES for 2-[3-(cyclohexylidenemethoxy)propyl]oxirane is C(OCCCC1CO1)=C1CCCCC1.
What is the InChIKey of 2-[3-(cyclohexylidenemethoxy)propyl]oxirane?
The InChIKey is IKBXIYRORLVGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-5-11(6-3-1)9-13-8-4-7-12-10-14-12/h9,12H,1-8,10H2.
What are the key properties of 2-[3-(cyclohexylidenemethoxy)propyl]oxirane?
2-[3-(cyclohexylidenemethoxy)propyl]oxirane has a molecular weight of 196.29 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylidenemethoxy)propyl]oxirane is sourced from PubChem (CID 176605059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).