3-methoxyundec-1-ene

C12H24O — CID 71428313

IUPAC3-methoxyundec-1-ene
SMILESC=CC(CCCCCCCC)OC
InChIInChI=1S/C12H24O/c1-4-6-7-8-9-10-11-12(5-2)13-3/h5,12H,2,4,6-11H2,1,3H3
InChIKeyPVJNOPTVAARPJL-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.94
Rot. Bonds9

About 3-methoxyundec-1-ene

3-methoxyundec-1-ene (PubChem CID 71428313) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-methoxyundec-1-ene.

Molecular Properties

Compound Name3-methoxyundec-1-ene
PubChem CID71428313
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-methoxyundec-1-ene
SMILESC=CC(CCCCCCCC)OC
InChIInChI=1S/C12H24O/c1-4-6-7-8-9-10-11-12(5-2)13-3/h5,12H,2,4,6-11H2,1,3H3
InChIKeyPVJNOPTVAARPJL-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.94
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 3-methoxyundec-1-ene?
The IUPAC name of 3-methoxyundec-1-ene (CID 71428313) is 3-methoxyundec-1-ene.
What is the SMILES notation for 3-methoxyundec-1-ene?
The canonical SMILES for 3-methoxyundec-1-ene is C=CC(CCCCCCCC)OC.
What is the InChIKey of 3-methoxyundec-1-ene?
The InChIKey is PVJNOPTVAARPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-6-7-8-9-10-11-12(5-2)13-3/h5,12H,2,4,6-11H2,1,3H3.
What are the key properties of 3-methoxyundec-1-ene?
3-methoxyundec-1-ene has a molecular weight of 184.32 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyundec-1-ene is sourced from PubChem (CID 71428313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).