12-methoxydodec-1-ene

C13H26O — CID 57059343

IUPAC12-methoxydodec-1-ene
SMILESC=CCCCCCCCCCCOC
InChIInChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h3H,1,4-13H2,2H3
InChIKeyHPKPLGFTECJDND-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.33
Rot. Bonds11

About 12-methoxydodec-1-ene

12-methoxydodec-1-ene (PubChem CID 57059343) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 12-methoxydodec-1-ene.

Molecular Properties

Compound Name12-methoxydodec-1-ene
PubChem CID57059343
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name12-methoxydodec-1-ene
SMILESC=CCCCCCCCCCCOC
InChIInChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h3H,1,4-13H2,2H3
InChIKeyHPKPLGFTECJDND-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-methoxydodec-1-ene?
The IUPAC name of 12-methoxydodec-1-ene (CID 57059343) is 12-methoxydodec-1-ene.
What is the SMILES notation for 12-methoxydodec-1-ene?
The canonical SMILES for 12-methoxydodec-1-ene is C=CCCCCCCCCCCOC.
What is the InChIKey of 12-methoxydodec-1-ene?
The InChIKey is HPKPLGFTECJDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h3H,1,4-13H2,2H3.
What are the key properties of 12-methoxydodec-1-ene?
12-methoxydodec-1-ene has a molecular weight of 198.35 g/mol, XLogP of 4.33, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methoxydodec-1-ene is sourced from PubChem (CID 57059343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).