ethene;hex-1-ene;oct-1-ene

C16H32 — CID 161087032

IUPACethene;hex-1-ene;oct-1-ene
SMILESC=C.C=CCCCC.C=CCCCCCC
InChIInChI=1S/C8H16.C6H12.C2H4/c1-3-5-7-8-6-4-2;1-3-5-6-4-2;1-2/h3H,1,4-8H2,2H3;3H,1,4-6H2,2H3;1-2H2
InChIKeyUGQUBWNSTWWKAP-UHFFFAOYSA-N
MW224.43 g/mol
LogP6.31
Rot. Bonds8

About ethene;hex-1-ene;oct-1-ene

ethene;hex-1-ene;oct-1-ene (PubChem CID 161087032) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is ethene;hex-1-ene;oct-1-ene.

Molecular Properties

Compound Nameethene;hex-1-ene;oct-1-ene
PubChem CID161087032
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Nameethene;hex-1-ene;oct-1-ene
SMILESC=C.C=CCCCC.C=CCCCCCC
InChIInChI=1S/C8H16.C6H12.C2H4/c1-3-5-7-8-6-4-2;1-3-5-6-4-2;1-2/h3H,1,4-8H2,2H3;3H,1,4-6H2,2H3;1-2H2
InChIKeyUGQUBWNSTWWKAP-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;hex-1-ene;oct-1-ene?
The IUPAC name of ethene;hex-1-ene;oct-1-ene (CID 161087032) is ethene;hex-1-ene;oct-1-ene.
What is the SMILES notation for ethene;hex-1-ene;oct-1-ene?
The canonical SMILES for ethene;hex-1-ene;oct-1-ene is C=C.C=CCCCC.C=CCCCCCC.
What is the InChIKey of ethene;hex-1-ene;oct-1-ene?
The InChIKey is UGQUBWNSTWWKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C6H12.C2H4/c1-3-5-7-8-6-4-2;1-3-5-6-4-2;1-2/h3H,1,4-8H2,2H3;3H,1,4-6H2,2H3;1-2H2.
What are the key properties of ethene;hex-1-ene;oct-1-ene?
ethene;hex-1-ene;oct-1-ene has a molecular weight of 224.43 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;hex-1-ene;oct-1-ene is sourced from PubChem (CID 161087032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).