ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene

C14H26 — CID 142009215

IUPACethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
SMILESC=CC(=CC)/C(C=C)=C\C.CC.CC
InChIInChI=1S/C10H14.2C2H6/c1-5-9(6-2)10(7-3)8-4;2*1-2/h5-8H,1,3H2,2,4H3;2*1-2H3/b9-6-,10-8-;;
InChIKeyLGNSACHQDPGQOM-VSNREZKLSA-N
MW194.36 g/mol
LogP5.30
Rot. Bonds3

About ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene

ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene (PubChem CID 142009215) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene.

Molecular Properties

Compound Nameethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
PubChem CID142009215
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Nameethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
SMILESC=CC(=CC)/C(C=C)=C\C.CC.CC
InChIInChI=1S/C10H14.2C2H6/c1-5-9(6-2)10(7-3)8-4;2*1-2/h5-8H,1,3H2,2,4H3;2*1-2H3/b9-6-,10-8-;;
InChIKeyLGNSACHQDPGQOM-VSNREZKLSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Lycopene
CID 446925
Myrcene
CID 31253
trans-Alloocimene
CID 5368821
Farnesene
CID 5281516
beta-Ocimene
CID 18756
beta-Farnesene
CID 5281517
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
Phytoene
CID 5280784
All-Trans-Phytofluene
CID 6436722
1-Methylcyclohexa-1,3-diene
CID 121731
2,6-Dimethylocta-2,4,6-triene
CID 12658

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene?
The IUPAC name of ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene (CID 142009215) is ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene.
What is the SMILES notation for ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene?
The canonical SMILES for ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene is C=CC(=CC)/C(C=C)=C\C.CC.CC.
What is the InChIKey of ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene?
The InChIKey is LGNSACHQDPGQOM-VSNREZKLSA-N. The full InChI is InChI=1S/C10H14.2C2H6/c1-5-9(6-2)10(7-3)8-4;2*1-2/h5-8H,1,3H2,2,4H3;2*1-2H3/b9-6-,10-8-;;.
What are the key properties of ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene?
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene has a molecular weight of 194.36 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene is sourced from PubChem (CID 142009215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).