1-methoxypent-2-ene

C6H12O — CID 551185

IUPAC1-methoxypent-2-ene
SMILESCCC=CCOC
InChIInChI=1S/C6H12O/c1-3-4-5-6-7-2/h4-5H,3,6H2,1-2H3
InChIKeyYCVHIAQANWEUFE-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.60
Rot. Bonds3

About 1-methoxypent-2-ene

1-methoxypent-2-ene (PubChem CID 551185) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 1-methoxypent-2-ene.

Molecular Properties

Compound Name1-methoxypent-2-ene
PubChem CID551185
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name1-methoxypent-2-ene
SMILESCCC=CCOC
InChIInChI=1S/C6H12O/c1-3-4-5-6-7-2/h4-5H,3,6H2,1-2H3
InChIKeyYCVHIAQANWEUFE-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,6-Dihydro-2H-pyran
CID 520540
3-Hexene, 1-(2-buten-1-yloxy)-, (3Z)-
CID 89704529
2-Methoxypentene-4
CID 5367912
1,6-Octadiene, 8-methoxy-
CID 5362853
(3Z)-1-(2-Buten-1-yloxy)-3-hexene
CID 92033995
2,5-Dihydro-2,5-dimethylfuran
CID 557796
2,2-Dimethyl-2,5-dihydrofuran
CID 12871456
1-Methoxy-2-hexene
CID 5366215
1-Methoxy-2,7-octadiene
CID 535026
(E)-1-ethoxy-hept-2-ene
CID 5358349
6-Methyl-3,6-dihydro-2H-pyran
CID 521593
2-Butene, 1-methoxy-, (E)-
CID 5366216

Frequently Asked Questions

What is the IUPAC name of 1-methoxypent-2-ene?
The IUPAC name of 1-methoxypent-2-ene (CID 551185) is 1-methoxypent-2-ene.
What is the SMILES notation for 1-methoxypent-2-ene?
The canonical SMILES for 1-methoxypent-2-ene is CCC=CCOC.
What is the InChIKey of 1-methoxypent-2-ene?
The InChIKey is YCVHIAQANWEUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-3-4-5-6-7-2/h4-5H,3,6H2,1-2H3.
What are the key properties of 1-methoxypent-2-ene?
1-methoxypent-2-ene has a molecular weight of 100.16 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypent-2-ene is sourced from PubChem (CID 551185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).