ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene

C15H28 — CID 167457633

IUPACethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene
SMILESC=C(/C=C\C=C/C)C(C)CCCC.CC
InChIInChI=1S/C13H22.C2H6/c1-5-7-9-11-13(4)12(3)10-8-6-2;1-2/h5,7,9,11-12H,4,6,8,10H2,1-3H3;1-2H3/b7-5-,11-9-;
InChIKeyMXKHIXKAEOMESB-UXOSWPDESA-N
MW208.39 g/mol
LogP5.53
Rot. Bonds6

About ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene

ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene (PubChem CID 167457633) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene.

Molecular Properties

Compound Nameethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene
PubChem CID167457633
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Nameethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene
SMILESC=C(/C=C\C=C/C)C(C)CCCC.CC
InChIInChI=1S/C13H22.C2H6/c1-5-7-9-11-13(4)12(3)10-8-6-2;1-2/h5,7,9,11-12H,4,6,8,10H2,1-3H3;1-2H3/b7-5-,11-9-;
InChIKeyMXKHIXKAEOMESB-UXOSWPDESA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.53
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

5,6-dimethyldeca-2,4-diene
CID 91470784
ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene
CID 143901355
(3Z,5Z,6R)-5-ethylidene-6-methyldeca-1,3-diene
CID 144579667
(4R)-4-methyl-3-methylideneoctane
CID 10820618
(Z)-2,7-dimethyl-3,6-dimethylidenedec-4-ene;propane
CID 166116853
(2E)-N-heptan-2-ylhexa-2,4-dienamide
CID 78841357
(4Z)-4-ethylidene-5-methylnonane
CID 142307818
2-methyl-N-propan-2-ylhept-1-en-3-amine
CID 79411658
ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide
CID 143199544
(3E)-3-ethylidene-N-methyloct-1-en-4-amine
CID 129132264
(2E,4E)-hexa-2,4-dienoic acid;hexane-1,1-diol
CID 175104699
2,3-dimethyldodec-1-ene;ethane;ethene
CID 144958915

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene?
The IUPAC name of ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene (CID 167457633) is ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene.
What is the SMILES notation for ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene?
The canonical SMILES for ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene is C=C(/C=C\C=C/C)C(C)CCCC.CC.
What is the InChIKey of ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene?
The InChIKey is MXKHIXKAEOMESB-UXOSWPDESA-N. The full InChI is InChI=1S/C13H22.C2H6/c1-5-7-9-11-13(4)12(3)10-8-6-2;1-2/h5,7,9,11-12H,4,6,8,10H2,1-3H3;1-2H3/b7-5-,11-9-;.
What are the key properties of ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene?
ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene has a molecular weight of 208.39 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene is sourced from PubChem (CID 167457633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).