5-methoxypent-1-ene

C6H12O — CID 542338

IUPAC5-methoxypent-1-ene
SMILESC=CCCCOC
InChIInChI=1S/C6H12O/c1-3-4-5-6-7-2/h3H,1,4-6H2,2H3
InChIKeyGCFVJHKEPFMQPP-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.60
Rot. Bonds4

About 5-methoxypent-1-ene

5-methoxypent-1-ene (PubChem CID 542338) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 5-methoxypent-1-ene.

Molecular Properties

Compound Name5-methoxypent-1-ene
PubChem CID542338
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name5-methoxypent-1-ene
SMILESC=CCCCOC
InChIInChI=1S/C6H12O/c1-3-4-5-6-7-2/h3H,1,4-6H2,2H3
InChIKeyGCFVJHKEPFMQPP-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-pyran
CID 8080
4-Methoxybut-1-ene
CID 317680
4-Ethoxybut-1-ene
CID 533994
cis-1-Butenyl ethyl ether
CID 5364930
(E)-1-Methoxy-1-butene
CID 5366228
1-Ethoxybut-1-ene
CID 138375
1-Butene, 1-methoxy-
CID 94402
cis-1-Methoxy-1-butene
CID 5366227
Perfluoro propylvinyl ether
CID 129760437
5-Butoxy-1-pentene
CID 534792
6-Methoxy-1-hexene
CID 542269
(1Z)-1-ethoxybut-1-ene
CID 5364929

Frequently Asked Questions

What is the IUPAC name of 5-methoxypent-1-ene?
The IUPAC name of 5-methoxypent-1-ene (CID 542338) is 5-methoxypent-1-ene.
What is the SMILES notation for 5-methoxypent-1-ene?
The canonical SMILES for 5-methoxypent-1-ene is C=CCCCOC.
What is the InChIKey of 5-methoxypent-1-ene?
The InChIKey is GCFVJHKEPFMQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-3-4-5-6-7-2/h3H,1,4-6H2,2H3.
What are the key properties of 5-methoxypent-1-ene?
5-methoxypent-1-ene has a molecular weight of 100.16 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypent-1-ene is sourced from PubChem (CID 542338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).