5-ethyl-4-methoxyhept-1-ene

C10H20O — CID 118028940

IUPAC5-ethyl-4-methoxyhept-1-ene
SMILESC=CCC(OC)C(CC)CC
InChIInChI=1S/C10H20O/c1-5-8-10(11-4)9(6-2)7-3/h5,9-10H,1,6-8H2,2-4H3
InChIKeyHDYFFXGFCVHNEH-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.01
Rot. Bonds6

About 5-ethyl-4-methoxyhept-1-ene

5-ethyl-4-methoxyhept-1-ene (PubChem CID 118028940) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 5-ethyl-4-methoxyhept-1-ene.

Molecular Properties

Compound Name5-ethyl-4-methoxyhept-1-ene
PubChem CID118028940
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name5-ethyl-4-methoxyhept-1-ene
SMILESC=CCC(OC)C(CC)CC
InChIInChI=1S/C10H20O/c1-5-8-10(11-4)9(6-2)7-3/h5,9-10H,1,6-8H2,2-4H3
InChIKeyHDYFFXGFCVHNEH-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.01
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

5-Methyl-1-hepten-4-ol
CID 145341
4-Methyl-6-hepten-3-ol
CID 547700
4-Methoxyhept-1-ene
CID 12550392
(3R,4S,5R)-3,5-dimethylhept-1-en-4-ol
CID 12703995
(3S,4R,5R)-3,5-dimethylhept-1-en-4-ol
CID 12703996
(4R,5S)-5-methylhept-1-en-4-ol
CID 14396925
(3S,4S,5R)-3,5-dimethylhept-1-en-4-ol
CID 88857679
(4s,2e)-5-Methylhepten-4-ol
CID 14396924
6-Methylhept-1-en-4-ol
CID 11344031
5-Ethylhept-1-en-4-ol
CID 12508208
(4S)-6-methylhept-1-en-4-ol
CID 12642480
(3S,4S,5S)-3,5-dimethylhept-1-en-4-ol
CID 12703991

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methoxyhept-1-ene?
The IUPAC name of 5-ethyl-4-methoxyhept-1-ene (CID 118028940) is 5-ethyl-4-methoxyhept-1-ene.
What is the SMILES notation for 5-ethyl-4-methoxyhept-1-ene?
The canonical SMILES for 5-ethyl-4-methoxyhept-1-ene is C=CCC(OC)C(CC)CC.
What is the InChIKey of 5-ethyl-4-methoxyhept-1-ene?
The InChIKey is HDYFFXGFCVHNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-8-10(11-4)9(6-2)7-3/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 5-ethyl-4-methoxyhept-1-ene?
5-ethyl-4-methoxyhept-1-ene has a molecular weight of 156.27 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methoxyhept-1-ene is sourced from PubChem (CID 118028940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).