3-ethoxyhept-1-ene

C9H18O — CID 13315257

IUPAC3-ethoxyhept-1-ene
SMILESC=CC(CCCC)OCC
InChIInChI=1S/C9H18O/c1-4-7-8-9(5-2)10-6-3/h5,9H,2,4,6-8H2,1,3H3
InChIKeyHHQFUFDNFXCTDG-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds6

About 3-ethoxyhept-1-ene

3-ethoxyhept-1-ene (PubChem CID 13315257) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-ethoxyhept-1-ene.

Molecular Properties

Compound Name3-ethoxyhept-1-ene
PubChem CID13315257
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-ethoxyhept-1-ene
SMILESC=CC(CCCC)OCC
InChIInChI=1S/C9H18O/c1-4-7-8-9(5-2)10-6-3/h5,9H,2,4,6-8H2,1,3H3
InChIKeyHHQFUFDNFXCTDG-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxyhept-1-ene?
The IUPAC name of 3-ethoxyhept-1-ene (CID 13315257) is 3-ethoxyhept-1-ene.
What is the SMILES notation for 3-ethoxyhept-1-ene?
The canonical SMILES for 3-ethoxyhept-1-ene is C=CC(CCCC)OCC.
What is the InChIKey of 3-ethoxyhept-1-ene?
The InChIKey is HHQFUFDNFXCTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-7-8-9(5-2)10-6-3/h5,9H,2,4,6-8H2,1,3H3.
What are the key properties of 3-ethoxyhept-1-ene?
3-ethoxyhept-1-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyhept-1-ene is sourced from PubChem (CID 13315257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).