ethane;(E)-oct-4-ene

C10H22 — CID 142055407

IUPACethane;(E)-oct-4-ene
SMILESCC.CCC/C=C/CCC
InChIInChI=1S/C8H16.C2H6/c1-3-5-7-8-6-4-2;1-2/h7-8H,3-6H2,1-2H3;1-2H3/b8-7+;
InChIKeyUDFFFPAONBBGSI-USRGLUTNSA-N
MW142.29 g/mol
LogP4.17
Rot. Bonds4

About ethane;(E)-oct-4-ene

ethane;(E)-oct-4-ene (PubChem CID 142055407) has the molecular formula C10H22 and a molecular weight of 142.29 g/mol. Its IUPAC name is ethane;(E)-oct-4-ene.

Molecular Properties

Compound Nameethane;(E)-oct-4-ene
PubChem CID142055407
Molecular FormulaC10H22
Molecular Weight142.29 g/mol
Exact Mass142.17
IUPAC Nameethane;(E)-oct-4-ene
SMILESCC.CCC/C=C/CCC
InChIInChI=1S/C8H16.C2H6/c1-3-5-7-8-6-4-2;1-2/h7-8H,3-6H2,1-2H3;1-2H3/b8-7+;
InChIKeyUDFFFPAONBBGSI-USRGLUTNSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036
(E)-N,N-bis[(E)-hex-2-enyl]hex-2-en-1-amine
CID 87105385
tricosa-4,19-diene
CID 142680711
ethane;(E)-hex-2-ene
CID 142405633
hexadeca-4,12-diene
CID 71384995
ethane;henicos-4-ene;propane
CID 144512101
(4E,9Z)-tetradeca-4,9-diene
CID 152732976
pentadeca-4,10-diene
CID 54306056
ethene;(Z)-hept-3-ene
CID 142517945
butane;ethane;(E)-hex-2-ene
CID 143010099

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-oct-4-ene?
The IUPAC name of ethane;(E)-oct-4-ene (CID 142055407) is ethane;(E)-oct-4-ene.
What is the SMILES notation for ethane;(E)-oct-4-ene?
The canonical SMILES for ethane;(E)-oct-4-ene is CC.CCC/C=C/CCC.
What is the InChIKey of ethane;(E)-oct-4-ene?
The InChIKey is UDFFFPAONBBGSI-USRGLUTNSA-N. The full InChI is InChI=1S/C8H16.C2H6/c1-3-5-7-8-6-4-2;1-2/h7-8H,3-6H2,1-2H3;1-2H3/b8-7+;.
What are the key properties of ethane;(E)-oct-4-ene?
ethane;(E)-oct-4-ene has a molecular weight of 142.29 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-oct-4-ene is sourced from PubChem (CID 142055407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).