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

C16H32 — CID 143132046

IUPACethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
SMILESC=CC(=CC)/C(C=C)=C\C.CC.CC.CC
InChIInChI=1S/C10H14.3C2H6/c1-5-9(6-2)10(7-3)8-4;3*1-2/h5-8H,1,3H2,2,4H3;3*1-2H3/b9-6-,10-8-;;;
InChIKeyKGBOXEBYBRSHFW-BXNOFLHESA-N
MW224.43 g/mol
LogP6.33
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 143132046) has the molecular formula C16H32 and a molecular weight of 224.43 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 CID143132046
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Nameethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
SMILESC=CC(=CC)/C(C=C)=C\C.CC.CC.CC
InChIInChI=1S/C10H14.3C2H6/c1-5-9(6-2)10(7-3)8-4;3*1-2/h5-8H,1,3H2,2,4H3;3*1-2H3/b9-6-,10-8-;;;
InChIKeyKGBOXEBYBRSHFW-BXNOFLHESA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.33
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

ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
(2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine
CID 126553029
1-[(3E,6E)-6-ethenyl-5-ethylidene-2-methylocta-1,3,6-trien-3-yl]-1-fluorocyclopropane
CID 143763324
ethane;bis(prop-1-ene)
CID 91426438
ethane;tetrakis(prop-1-ene)
CID 90918926
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
(3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene
CID 164855515
ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane
CID 178046177
3-penta-1,3-dien-3-ylhexa-1,3-dien-1-one
CID 141087599
(E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine
CID 166818334

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 143132046) 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.CC.
What is the InChIKey of ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene?
The InChIKey is KGBOXEBYBRSHFW-BXNOFLHESA-N. The full InChI is InChI=1S/C10H14.3C2H6/c1-5-9(6-2)10(7-3)8-4;3*1-2/h5-8H,1,3H2,2,4H3;3*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 224.43 g/mol, XLogP of 6.33, 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 143132046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).