3-methoxydodec-1-ene

C13H26O — CID 134895994

IUPAC3-methoxydodec-1-ene
SMILESC=CC(CCCCCCCCC)OC
InChIInChI=1S/C13H26O/c1-4-6-7-8-9-10-11-12-13(5-2)14-3/h5,13H,2,4,6-12H2,1,3H3
InChIKeyZUDRIPQIHZFWIY-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.33
Rot. Bonds10

About 3-methoxydodec-1-ene

3-methoxydodec-1-ene (PubChem CID 134895994) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-methoxydodec-1-ene.

Molecular Properties

Compound Name3-methoxydodec-1-ene
PubChem CID134895994
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name3-methoxydodec-1-ene
SMILESC=CC(CCCCCCCCC)OC
InChIInChI=1S/C13H26O/c1-4-6-7-8-9-10-11-12-13(5-2)14-3/h5,13H,2,4,6-12H2,1,3H3
InChIKeyZUDRIPQIHZFWIY-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
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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Related Compounds

(7-Octenyl)oxirane
CID 543758
1-Decene, 10-methoxy-
CID 3085890
Allyl n-octyl ether
CID 520600
(R)-(+)-1,2-Epoxy-9-decene
CID 7018005
2-Dodec-11-enyloxirane
CID 5743593
1-(Allyloxy)decane
CID 76802
3-Methoxyhept-1-ene
CID 551180
1-Nonen-3-ol, methyl ether
CID 12563924
3-Methoxy-1,7-octadiene
CID 551173
4-Methoxy dec-1-ene
CID 11829889
2-Ethenyl-6-methyloxane
CID 12277932
3-Methoxyoct-1-ene
CID 20320211

Frequently Asked Questions

What is the IUPAC name of 3-methoxydodec-1-ene?
The IUPAC name of 3-methoxydodec-1-ene (CID 134895994) is 3-methoxydodec-1-ene.
What is the SMILES notation for 3-methoxydodec-1-ene?
The canonical SMILES for 3-methoxydodec-1-ene is C=CC(CCCCCCCCC)OC.
What is the InChIKey of 3-methoxydodec-1-ene?
The InChIKey is ZUDRIPQIHZFWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-4-6-7-8-9-10-11-12-13(5-2)14-3/h5,13H,2,4,6-12H2,1,3H3.
What are the key properties of 3-methoxydodec-1-ene?
3-methoxydodec-1-ene has a molecular weight of 198.35 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxydodec-1-ene is sourced from PubChem (CID 134895994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).