2-methoxyicos-1-ene

C21H42O — CID 175283491

IUPAC2-methoxyicos-1-ene
SMILESC=C(CCCCCCCCCCCCCCCCCC)OC
InChIInChI=1S/C21H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22-3/h2,4-20H2,1,3H3
InChIKeyZEBBAFYZFRSADR-UHFFFAOYSA-N
MW310.57 g/mol
LogP7.80
Rot. Bonds18

About 2-methoxyicos-1-ene

2-methoxyicos-1-ene (PubChem CID 175283491) has the molecular formula C21H42O and a molecular weight of 310.57 g/mol. Its IUPAC name is 2-methoxyicos-1-ene.

Molecular Properties

Compound Name2-methoxyicos-1-ene
PubChem CID175283491
Molecular FormulaC21H42O
Molecular Weight310.57 g/mol
Exact Mass310.32
IUPAC Name2-methoxyicos-1-ene
SMILESC=C(CCCCCCCCCCCCCCCCCC)OC
InChIInChI=1S/C21H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22-3/h2,4-20H2,1,3H3
InChIKeyZEBBAFYZFRSADR-UHFFFAOYSA-N
XLogP7.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-henicos-1-en-2-yloxyhenicos-1-ene
CID 19992658
1-oct-1-en-2-yloxydodecane
CID 58247133
12-methoxy-N-methyltridec-12-en-1-amine
CID 145295234
2-icos-1-en-2-yloxyethanol
CID 141375140
dodec-1-en-2-yl hydrogen carbonate
CID 87655862
2-methoxydec-1-en-3-one
CID 131862503
6-methylidenedodecane
CID 21453027
henicos-1-en-2-ol
CID 90735098
6-methylidenetetradecane
CID 21477883
dec-1-en-2-yl(trimethyl)silane
CID 11665658
methyl 10-methylidenehexadecanoate
CID 87398703
2-methoxyocta-1,7-diene
CID 16726270

Frequently Asked Questions

What is the IUPAC name of 2-methoxyicos-1-ene?
The IUPAC name of 2-methoxyicos-1-ene (CID 175283491) is 2-methoxyicos-1-ene.
What is the SMILES notation for 2-methoxyicos-1-ene?
The canonical SMILES for 2-methoxyicos-1-ene is C=C(CCCCCCCCCCCCCCCCCC)OC.
What is the InChIKey of 2-methoxyicos-1-ene?
The InChIKey is ZEBBAFYZFRSADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22-3/h2,4-20H2,1,3H3.
What are the key properties of 2-methoxyicos-1-ene?
2-methoxyicos-1-ene has a molecular weight of 310.57 g/mol, XLogP of 7.80, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyicos-1-ene is sourced from PubChem (CID 175283491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).