2-(3,7-dimethyloct-6-enoxymethyl)oxirane

C13H24O2 — CID 15580334

IUPAC2-(3,7-dimethyloct-6-enoxymethyl)oxirane
SMILESCC(C)=CCCC(C)CCOCC1CO1
InChIInChI=1S/C13H24O2/c1-11(2)5-4-6-12(3)7-8-14-9-13-10-15-13/h5,12-13H,4,6-10H2,1-3H3
InChIKeySVNOLWFVTNZIHF-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.17
Rot. Bonds8

About 2-(3,7-dimethyloct-6-enoxymethyl)oxirane

2-(3,7-dimethyloct-6-enoxymethyl)oxirane (PubChem CID 15580334) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-(3,7-dimethyloct-6-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(3,7-dimethyloct-6-enoxymethyl)oxirane
PubChem CID15580334
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-(3,7-dimethyloct-6-enoxymethyl)oxirane
SMILESCC(C)=CCCC(C)CCOCC1CO1
InChIInChI=1S/C13H24O2/c1-11(2)5-4-6-12(3)7-8-14-9-13-10-15-13/h5,12-13H,4,6-10H2,1-3H3
InChIKeySVNOLWFVTNZIHF-UHFFFAOYSA-N
XLogP3.17
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.17
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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Related Compounds

6,10-Dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol
CID 75987722
Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-
CID 530403
Linalool oxide (5-ring)
CID 102611
[3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate
CID 536453
[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 10855926
Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-, (2S,3S)-
CID 10909994
[(2R,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 11116488
1,2-Oxidolinalool
CID 44144481
2,3-Epoxy-3,7,11-trimethyl-6,10-dodecadienol
CID 72770693
3-(3,7-Dimethyloct-6-enoxy)oxane
CID 558921
[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 10986703
(2S,3S)-2,3-Epoxyfarnesol
CID 11253414

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyloct-6-enoxymethyl)oxirane?
The IUPAC name of 2-(3,7-dimethyloct-6-enoxymethyl)oxirane (CID 15580334) is 2-(3,7-dimethyloct-6-enoxymethyl)oxirane.
What is the SMILES notation for 2-(3,7-dimethyloct-6-enoxymethyl)oxirane?
The canonical SMILES for 2-(3,7-dimethyloct-6-enoxymethyl)oxirane is CC(C)=CCCC(C)CCOCC1CO1.
What is the InChIKey of 2-(3,7-dimethyloct-6-enoxymethyl)oxirane?
The InChIKey is SVNOLWFVTNZIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-11(2)5-4-6-12(3)7-8-14-9-13-10-15-13/h5,12-13H,4,6-10H2,1-3H3.
What are the key properties of 2-(3,7-dimethyloct-6-enoxymethyl)oxirane?
2-(3,7-dimethyloct-6-enoxymethyl)oxirane has a molecular weight of 212.33 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyloct-6-enoxymethyl)oxirane is sourced from PubChem (CID 15580334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).