2-(undec-10-enoxymethyl)oxirane

C14H26O2 — CID 10353667

IUPAC2-(undec-10-enoxymethyl)oxirane
SMILESC=CCCCCCCCCCOCC1CO1
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-14-13-16-14/h2,14H,1,3-13H2
InChIKeyYSTQDEIJJRSQEG-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.71
Rot. Bonds12

About 2-(undec-10-enoxymethyl)oxirane

2-(undec-10-enoxymethyl)oxirane (PubChem CID 10353667) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(undec-10-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(undec-10-enoxymethyl)oxirane
PubChem CID10353667
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-(undec-10-enoxymethyl)oxirane
SMILESC=CCCCCCCCCCOCC1CO1
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-14-13-16-14/h2,14H,1,3-13H2
InChIKeyYSTQDEIJJRSQEG-UHFFFAOYSA-N
XLogP3.71
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.71
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

(7-Octenyl)oxirane
CID 543758
Octadec-9-enyl glycidyl ether
CID 62165
Oxirane, 2-(((9Z)-9-octadecen-1-yloxy)methyl)-
CID 6435878
(R)-(+)-1,2-Epoxy-9-decene
CID 7018005
2-[[(E)-octadec-9-enoxy]methyl]oxirane
CID 13374780
2-Dodec-11-enyloxirane
CID 5743593
(R,Z)-2-((octadec-9-enyloxy)methyl)oxirane
CID 53488097
2-Dec-9-enyloxirane
CID 22648516
Dec-9-enyl glycidyl ether
CID 85768839
7,8-Dimethoxyoct-1-ene
CID 3022579
1-Methoxy-2-(undec-10-en-1-yloxy)ethane
CID 142718624
(3-Pent-4-enyloxiran-2-yl)methanol
CID 14017287

Frequently Asked Questions

What is the IUPAC name of 2-(undec-10-enoxymethyl)oxirane?
The IUPAC name of 2-(undec-10-enoxymethyl)oxirane (CID 10353667) is 2-(undec-10-enoxymethyl)oxirane.
What is the SMILES notation for 2-(undec-10-enoxymethyl)oxirane?
The canonical SMILES for 2-(undec-10-enoxymethyl)oxirane is C=CCCCCCCCCCOCC1CO1.
What is the InChIKey of 2-(undec-10-enoxymethyl)oxirane?
The InChIKey is YSTQDEIJJRSQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-14-13-16-14/h2,14H,1,3-13H2.
What are the key properties of 2-(undec-10-enoxymethyl)oxirane?
2-(undec-10-enoxymethyl)oxirane has a molecular weight of 226.36 g/mol, XLogP of 3.71, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(undec-10-enoxymethyl)oxirane is sourced from PubChem (CID 10353667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).