1-ethenoxyheptane

C9H18O — CID 14454735

IUPAC1-ethenoxyheptane
SMILESC=COCCCCCCC
InChIInChI=1S/C9H18O/c1-3-5-6-7-8-9-10-4-2/h4H,2-3,5-9H2,1H3
InChIKeySWZSKZZXXULJHU-UHFFFAOYSA-N
MW142.24 g/mol
LogP3.12
Rot. Bonds7

About 1-ethenoxyheptane

1-ethenoxyheptane (PubChem CID 14454735) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-ethenoxyheptane.

Molecular Properties

Compound Name1-ethenoxyheptane
PubChem CID14454735
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-ethenoxyheptane
SMILESC=COCCCCCCC
InChIInChI=1S/C9H18O/c1-3-5-6-7-8-9-10-4-2/h4H,2-3,5-9H2,1H3
InChIKeySWZSKZZXXULJHU-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxyheptane?
The IUPAC name of 1-ethenoxyheptane (CID 14454735) is 1-ethenoxyheptane.
What is the SMILES notation for 1-ethenoxyheptane?
The canonical SMILES for 1-ethenoxyheptane is C=COCCCCCCC.
What is the InChIKey of 1-ethenoxyheptane?
The InChIKey is SWZSKZZXXULJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-5-6-7-8-9-10-4-2/h4H,2-3,5-9H2,1H3.
What are the key properties of 1-ethenoxyheptane?
1-ethenoxyheptane has a molecular weight of 142.24 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxyheptane is sourced from PubChem (CID 14454735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).