ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene

C13H24 — CID 143267495

IUPACethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene
SMILESC=C/C(C)=C\C(=C/C)CCC.CC
InChIInChI=1S/C11H18.C2H6/c1-5-8-11(7-3)9-10(4)6-2;1-2/h6-7,9H,2,5,8H2,1,3-4H3;1-2H3/b10-9-,11-7-;
InChIKeyYPCMUEJHZLRKGN-SEBOVAIBSA-N
MW180.33 g/mol
LogP4.89
Rot. Bonds4

About ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene

ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene (PubChem CID 143267495) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene.

Molecular Properties

Compound Nameethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene
PubChem CID143267495
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Nameethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene
SMILESC=C/C(C)=C\C(=C/C)CCC.CC
InChIInChI=1S/C11H18.C2H6/c1-5-8-11(7-3)9-10(4)6-2;1-2/h6-7,9H,2,5,8H2,1,3-4H3;1-2H3/b10-9-,11-7-;
InChIKeyYPCMUEJHZLRKGN-SEBOVAIBSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.89
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;(3E)-3-ethylidenehex-1-ene;propane;propylphosphane
CID 143343159
5-ethylideneocta-1,3-diene-3-diazonium
CID 123497453
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744
(5Z)-N-ethenyl-6-methylocta-5,7-dien-4-imine
CID 166958594
ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene
CID 143653088
ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine
CID 142873485
(Z)-2-ethenylpent-1-en-1-amine
CID 177188955
3-ethylideneoct-1-ene
CID 91511297
(3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene
CID 131995054
ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene
CID 145071766
(2E)-4-oxo-2-propylhexa-2,5-dienal
CID 91538875
(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
CID 143591783

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene?
The IUPAC name of ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene (CID 143267495) is ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene.
What is the SMILES notation for ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene?
The canonical SMILES for ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene is C=C/C(C)=C\C(=C/C)CCC.CC.
What is the InChIKey of ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene?
The InChIKey is YPCMUEJHZLRKGN-SEBOVAIBSA-N. The full InChI is InChI=1S/C11H18.C2H6/c1-5-8-11(7-3)9-10(4)6-2;1-2/h6-7,9H,2,5,8H2,1,3-4H3;1-2H3/b10-9-,11-7-;.
What are the key properties of ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene?
ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene has a molecular weight of 180.33 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene is sourced from PubChem (CID 143267495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).