2-(9-methylundecoxymethyl)oxirane

C15H30O2 — CID 167130784

IUPAC2-(9-methylundecoxymethyl)oxirane
SMILESCCC(C)CCCCCCCCOCC1CO1
InChIInChI=1S/C15H30O2/c1-3-14(2)10-8-6-4-5-7-9-11-16-12-15-13-17-15/h14-15H,3-13H2,1-2H3
InChIKeyQOLZTJMOIYRHKR-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.18
Rot. Bonds12

About 2-(9-methylundecoxymethyl)oxirane

2-(9-methylundecoxymethyl)oxirane (PubChem CID 167130784) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2-(9-methylundecoxymethyl)oxirane.

Molecular Properties

Compound Name2-(9-methylundecoxymethyl)oxirane
PubChem CID167130784
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2-(9-methylundecoxymethyl)oxirane
SMILESCCC(C)CCCCCCCCOCC1CO1
InChIInChI=1S/C15H30O2/c1-3-14(2)10-8-6-4-5-7-9-11-16-12-15-13-17-15/h14-15H,3-13H2,1-2H3
InChIKeyQOLZTJMOIYRHKR-UHFFFAOYSA-N
XLogP4.18
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methylheptoxymethyl)oxirane;propane-1,2,3-triol
CID 174940930
2-[3-(2-methylbutoxy)propoxymethyl]oxirane
CID 167130751
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-[[4-hexadecoxy-3-(hexadecoxymethyl)butoxy]methyl]oxirane
CID 101085223
2-(pentoxymethyl)oxirane
CID 160890113
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685

Frequently Asked Questions

What is the IUPAC name of 2-(9-methylundecoxymethyl)oxirane?
The IUPAC name of 2-(9-methylundecoxymethyl)oxirane (CID 167130784) is 2-(9-methylundecoxymethyl)oxirane.
What is the SMILES notation for 2-(9-methylundecoxymethyl)oxirane?
The canonical SMILES for 2-(9-methylundecoxymethyl)oxirane is CCC(C)CCCCCCCCOCC1CO1.
What is the InChIKey of 2-(9-methylundecoxymethyl)oxirane?
The InChIKey is QOLZTJMOIYRHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-3-14(2)10-8-6-4-5-7-9-11-16-12-15-13-17-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-(9-methylundecoxymethyl)oxirane?
2-(9-methylundecoxymethyl)oxirane has a molecular weight of 242.40 g/mol, XLogP of 4.18, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methylundecoxymethyl)oxirane is sourced from PubChem (CID 167130784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).