ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene

C15H30 — CID 145383595

IUPACethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
SMILESC=C.C=C.C=C/C=C(/C)C=C.CC.CC
InChIInChI=1S/C7H10.2C2H6.2C2H4/c1-4-6-7(3)5-2;4*1-2/h4-6H,1-2H2,3H3;2*1-2H3;2*1-2H2/b7-6-;;;;
InChIKeyIRWQMNMFIAYNAB-VSJPESBJSA-N
MW210.40 g/mol
LogP5.96
Rot. Bonds2

About ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene

ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene (PubChem CID 145383595) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene.

Molecular Properties

Compound Nameethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
PubChem CID145383595
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Nameethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
SMILESC=C.C=C.C=C/C=C(/C)C=C.CC.CC
InChIInChI=1S/C7H10.2C2H6.2C2H4/c1-4-6-7(3)5-2;4*1-2/h4-6H,1-2H2,3H3;2*1-2H3;2*1-2H2/b7-6-;;;;
InChIKeyIRWQMNMFIAYNAB-VSJPESBJSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-methylhexa-1,3,5-triene
CID 5367380
fluoroform;(3Z)-3-methylhexa-1,3,5-triene
CID 142106535
(Z)-but-2-ene;(3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraene
CID 163402506
(3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane
CID 144847010
(3Z)-3,6-dimethylhepta-1,3,5-triene;ethane;2-methylprop-1-ene
CID 145084506
(3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane
CID 143902080
ethane;methyl cyclohexanecarboxylate;(3Z)-3-methylhexa-1,3,5-triene
CID 143623579
3-methylhexa-1,3,5-trien-1-ol
CID 173388708
(1E,3Z)-1-chloro-4-methylhexa-1,3,5-triene
CID 87415346
ethane;(1Z)-2-methylbuta-1,3-diene-1-thiol
CID 142804788
ethane;(1Z)-2-methylbuta-1,3-diene-1-thiol
CID 143502225
3,7-dimethylnona-1,3,5,7-tetraene
CID 54076671

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene?
The IUPAC name of ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene (CID 145383595) is ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene.
What is the SMILES notation for ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene?
The canonical SMILES for ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene is C=C.C=C.C=C/C=C(/C)C=C.CC.CC.
What is the InChIKey of ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene?
The InChIKey is IRWQMNMFIAYNAB-VSJPESBJSA-N. The full InChI is InChI=1S/C7H10.2C2H6.2C2H4/c1-4-6-7(3)5-2;4*1-2/h4-6H,1-2H2,3H3;2*1-2H3;2*1-2H2/b7-6-;;;;.
What are the key properties of ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene?
ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene has a molecular weight of 210.40 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene is sourced from PubChem (CID 145383595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).