2-(oct-1-enoxymethyl)oxirane

C11H20O2 — CID 57286562

IUPAC2-(oct-1-enoxymethyl)oxirane
SMILESCCCCCCC=COCC1CO1
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-12-9-11-10-13-11/h7-8,11H,2-6,9-10H2,1H3
InChIKeyYCSGFUTXMJGUSL-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds8

About 2-(oct-1-enoxymethyl)oxirane

2-(oct-1-enoxymethyl)oxirane (PubChem CID 57286562) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(oct-1-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(oct-1-enoxymethyl)oxirane
PubChem CID57286562
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(oct-1-enoxymethyl)oxirane
SMILESCCCCCCC=COCC1CO1
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-12-9-11-10-13-11/h7-8,11H,2-6,9-10H2,1H3
InChIKeyYCSGFUTXMJGUSL-UHFFFAOYSA-N
XLogP2.89
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
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-[[(E)-heptadec-1-enoxy]methyl]oxirane
CID 21225255
2-(icosa-1,3,5-trienoxymethyl)oxirane
CID 175287179
2-(pent-1-enoxymethyl)oxirane
CID 54343228
2-(8-methylnon-1-enoxymethyl)oxirane
CID 140713712
2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane
CID 57121799
2-(pentadec-2-enoxymethyl)oxirane
CID 175115833
1-butoxyheptadec-1-ene
CID 173032025
1-butoxynonadec-1-ene
CID 173032007
2-nonadec-10-enyloxirane
CID 54194145
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
1-ethoxyundec-1-ene
CID 71331710
1-ethoxytridec-1-ene
CID 173032013

Frequently Asked Questions

What is the IUPAC name of 2-(oct-1-enoxymethyl)oxirane?
The IUPAC name of 2-(oct-1-enoxymethyl)oxirane (CID 57286562) is 2-(oct-1-enoxymethyl)oxirane.
What is the SMILES notation for 2-(oct-1-enoxymethyl)oxirane?
The canonical SMILES for 2-(oct-1-enoxymethyl)oxirane is CCCCCCC=COCC1CO1.
What is the InChIKey of 2-(oct-1-enoxymethyl)oxirane?
The InChIKey is YCSGFUTXMJGUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-12-9-11-10-13-11/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of 2-(oct-1-enoxymethyl)oxirane?
2-(oct-1-enoxymethyl)oxirane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oct-1-enoxymethyl)oxirane is sourced from PubChem (CID 57286562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).