ethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne

C16H20 — CID 142176568

IUPACethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne
SMILESC=C.C=C/C=C\C(=C)C#C/C(C)=C/C=C\C
InChIInChI=1S/C14H16.C2H4/c1-5-7-9-13(3)11-12-14(4)10-8-6-2;1-2/h5-10H,1,3H2,2,4H3;1-2H2/b8-6-,9-7-,14-10+;
InChIKeyUEAWMUGZFWUOGF-ASRLQXPASA-N
MW212.34 g/mol
LogP4.61
Rot. Bonds3

About ethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne

ethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne (PubChem CID 142176568) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is ethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne.

Molecular Properties

Compound Nameethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne
PubChem CID142176568
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Nameethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne
SMILESC=C.C=C/C=C\C(=C)C#C/C(C)=C/C=C\C
InChIInChI=1S/C14H16.C2H4/c1-5-7-9-13(3)11-12-14(4)10-8-6-2;1-2/h5-10H,1,3H2,2,4H3;1-2H2/b8-6-,9-7-,14-10+;
InChIKeyUEAWMUGZFWUOGF-ASRLQXPASA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.61
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne
CID 143116902
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542
2-methylpenta-1,3-diene;penta-1,3-diene
CID 158114840
(3Z,5E,6E,8Z)-6-ethyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 177369316
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
2-methylbut-2-ene;(3E)-penta-1,3-diene
CID 6441481
(3Z,8Z,10Z)-8-ethenyl-6-methylidene-5-propan-2-ylidenedodeca-1,3,8,10-tetraene
CID 177318715
(3E)-penta-1,3-diene
CID 71777643
6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 123254691
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline
CID 144905375
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377

Frequently Asked Questions

What is the IUPAC name of ethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne?
The IUPAC name of ethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne (CID 142176568) is ethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne.
What is the SMILES notation for ethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne?
The canonical SMILES for ethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne is C=C.C=C/C=C\C(=C)C#C/C(C)=C/C=C\C.
What is the InChIKey of ethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne?
The InChIKey is UEAWMUGZFWUOGF-ASRLQXPASA-N. The full InChI is InChI=1S/C14H16.C2H4/c1-5-7-9-13(3)11-12-14(4)10-8-6-2;1-2/h5-10H,1,3H2,2,4H3;1-2H2/b8-6-,9-7-,14-10+;.
What are the key properties of ethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne?
ethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne has a molecular weight of 212.34 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne is sourced from PubChem (CID 142176568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).