ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene

C17H24 — CID 145059823

IUPACethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
SMILESC=C.C=C(C)/C=C\C(=C)C(=C)/C=C/C(=C)CC
InChIInChI=1S/C15H20.C2H4/c1-7-13(4)9-11-15(6)14(5)10-8-12(2)3;1-2/h8-11H,2,4-7H2,1,3H3;1-2H2/b10-8-,11-9-;
InChIKeyYQTYHKRLSZHSLX-OCPUFSFLSA-N
MW228.38 g/mol
LogP5.56
Rot. Bonds6

About ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene

ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene (PubChem CID 145059823) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene.

Molecular Properties

Compound Nameethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
PubChem CID145059823
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Nameethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
SMILESC=C.C=C(C)/C=C\C(=C)C(=C)/C=C/C(=C)CC
InChIInChI=1S/C15H20.C2H4/c1-7-13(4)9-11-15(6)14(5)10-8-12(2)3;1-2/h8-11H,2,4-7H2,1,3H3;1-2H2/b10-8-,11-9-;
InChIKeyYQTYHKRLSZHSLX-OCPUFSFLSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.56
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

(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
ethene;(3Z)-6-(fluoromethyl)-2-methyl-5-methylidenehepta-1,3,6-triene;(5Z)-3,4,7-trimethylidenenona-1,5-diene
CID 144909675
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 142281411
(Z)-5-methylidenehept-3-en-2-one
CID 123321874
(Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine
CID 145480541
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine
CID 145480572
[(3Z,7Z)-3-[(4Z)-3,6-dimethylideneocta-1,4-dien-2-yl]-9-methyl-5,6-dimethylidenedeca-3,7,9-trienyl] 2-methylprop-2-enoate
CID 145122786
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 144843023
(3Z,8Z)-2,10-dimethyl-5,7-dimethylideneundeca-1,3,8,10-tetraene;ethane
CID 145336589

Frequently Asked Questions

What is the IUPAC name of ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene?
The IUPAC name of ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene (CID 145059823) is ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene.
What is the SMILES notation for ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene?
The canonical SMILES for ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene is C=C.C=C(C)/C=C\C(=C)C(=C)/C=C/C(=C)CC.
What is the InChIKey of ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene?
The InChIKey is YQTYHKRLSZHSLX-OCPUFSFLSA-N. The full InChI is InChI=1S/C15H20.C2H4/c1-7-13(4)9-11-15(6)14(5)10-8-12(2)3;1-2/h8-11H,2,4-7H2,1,3H3;1-2H2/b10-8-,11-9-;.
What are the key properties of ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene?
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene has a molecular weight of 228.38 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene is sourced from PubChem (CID 145059823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).