ethene;octa-1,5-diene

C10H18 — CID 175164046

IUPACethene;octa-1,5-diene
SMILESC=C.C=CCCC=CCC
InChIInChI=1S/C8H14.C2H4/c1-3-5-7-8-6-4-2;1-2/h3,6,8H,1,4-5,7H2,2H3;1-2H2
InChIKeyKQKQHUZYPPDNJX-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.72
Rot. Bonds4

About ethene;octa-1,5-diene

ethene;octa-1,5-diene (PubChem CID 175164046) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is ethene;octa-1,5-diene.

Molecular Properties

Compound Nameethene;octa-1,5-diene
PubChem CID175164046
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Nameethene;octa-1,5-diene
SMILESC=C.C=CCCC=CCC
InChIInChI=1S/C8H14.C2H4/c1-3-5-7-8-6-4-2;1-2/h3,6,8H,1,4-5,7H2,2H3;1-2H2
InChIKeyKQKQHUZYPPDNJX-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.72
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

(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
hexadeca-1,5,13-triene
CID 174048718
but-1-ene;ethene;(E)-hept-3-ene;pent-1-ene
CID 173073826
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(5E)-deca-1,5,9-triene
CID 5362636
bis(cyclopenta-1,3-diene);octa-1,5-diene
CID 173396653
(5E)-nona-1,5-diene
CID 6429608
trideca-1,10-diene
CID 54351837
ethene;(Z)-hept-3-ene
CID 142517945
pentadeca-1,5,9-triene
CID 174048710
6-ethenyl-6-methyldodeca-1,9-diene
CID 54105098

Frequently Asked Questions

What is the IUPAC name of ethene;octa-1,5-diene?
The IUPAC name of ethene;octa-1,5-diene (CID 175164046) is ethene;octa-1,5-diene.
What is the SMILES notation for ethene;octa-1,5-diene?
The canonical SMILES for ethene;octa-1,5-diene is C=C.C=CCCC=CCC.
What is the InChIKey of ethene;octa-1,5-diene?
The InChIKey is KQKQHUZYPPDNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C2H4/c1-3-5-7-8-6-4-2;1-2/h3,6,8H,1,4-5,7H2,2H3;1-2H2.
What are the key properties of ethene;octa-1,5-diene?
ethene;octa-1,5-diene has a molecular weight of 138.25 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;octa-1,5-diene is sourced from PubChem (CID 175164046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).