(E)-oct-2-ene

C8H16 — CID 5364448

IUPAC(E)-oct-2-ene
SMILESC/C=C/CCCCC
InChIInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKeyILPBINAXDRFYPL-HWKANZROSA-N
MW112.22 g/mol
LogP3.14
Rot. Bonds4

About (E)-oct-2-ene

(E)-oct-2-ene (PubChem CID 5364448) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is (E)-oct-2-ene.

Molecular Properties

Compound Name(E)-oct-2-ene
PubChem CID5364448
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name(E)-oct-2-ene
SMILESC/C=C/CCCCC
InChIInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKeyILPBINAXDRFYPL-HWKANZROSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.14
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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Related Compounds

Myrcene
CID 31253
(Z)-9-Tricosene
CID 5365075
beta-Farnesene
CID 5281517
Undecene
CID 5364452
Decene
CID 5364559
1,5,9-Cyclododecatriene
CID 12668
Tridecene
CID 5364435
trans-5-Decene
CID 637820
1,3,5-Undecatriene
CID 61832
(3E,5E)-1,3,5-Undecatriene
CID 5367412
3-Undecene, (3E)-
CID 5362751
Pentylene
CID 32932

Frequently Asked Questions

What is the IUPAC name of (E)-oct-2-ene?
The IUPAC name of (E)-oct-2-ene (CID 5364448) is (E)-oct-2-ene.
What is the SMILES notation for (E)-oct-2-ene?
The canonical SMILES for (E)-oct-2-ene is C/C=C/CCCCC.
What is the InChIKey of (E)-oct-2-ene?
The InChIKey is ILPBINAXDRFYPL-HWKANZROSA-N. The full InChI is InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+.
What are the key properties of (E)-oct-2-ene?
(E)-oct-2-ene has a molecular weight of 112.22 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-oct-2-ene is sourced from PubChem (CID 5364448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).