ethane;ethene;(E)-4-methylideneundec-2-ene

C16H32 — CID 143978439

IUPACethane;ethene;(E)-4-methylideneundec-2-ene
SMILESC=C.C=C(/C=C/C)CCCCCCC.CC
InChIInChI=1S/C12H22.C2H6.C2H4/c1-4-6-7-8-9-11-12(3)10-5-2;2*1-2/h5,10H,3-4,6-9,11H2,1-2H3;1-2H3;1-2H2/b10-5+;;
InChIKeyUVXDMYVKCQNEHJ-XKYXOGKGSA-N
MW224.43 g/mol
LogP6.31
Rot. Bonds7

About ethane;ethene;(E)-4-methylideneundec-2-ene

ethane;ethene;(E)-4-methylideneundec-2-ene (PubChem CID 143978439) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is ethane;ethene;(E)-4-methylideneundec-2-ene.

Molecular Properties

Compound Nameethane;ethene;(E)-4-methylideneundec-2-ene
PubChem CID143978439
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Nameethane;ethene;(E)-4-methylideneundec-2-ene
SMILESC=C.C=C(/C=C/C)CCCCCCC.CC
InChIInChI=1S/C12H22.C2H6.C2H4/c1-4-6-7-8-9-11-12(3)10-5-2;2*1-2/h5,10H,3-4,6-9,11H2,1-2H3;1-2H3;1-2H2/b10-5+;;
InChIKeyUVXDMYVKCQNEHJ-XKYXOGKGSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-methylideneundec-2-ene
CID 13425645
(E)-6-methylidenetetradec-7-ene
CID 101198488
(E)-4-methylideneoctadec-2-enoic acid
CID 87396066
3-methylidenetridec-1-ene
CID 3776253
(3Z)-2-fluoro-5-methylidenedeca-1,3-diene
CID 143276668
(E,4E)-4-ethylidenedodec-2-ene
CID 144930771
methane;(3Z)-5-methylidenedeca-1,3-diene
CID 142806939
(Z)-4-methylidenenon-2-en-1-amine
CID 129022614
ethane;(Z)-4-methylidenehept-5-en-1-amine;molecular hydrogen
CID 143258830
tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(E)-4-methylideneundec-2-ene?
The IUPAC name of ethane;ethene;(E)-4-methylideneundec-2-ene (CID 143978439) is ethane;ethene;(E)-4-methylideneundec-2-ene.
What is the SMILES notation for ethane;ethene;(E)-4-methylideneundec-2-ene?
The canonical SMILES for ethane;ethene;(E)-4-methylideneundec-2-ene is C=C.C=C(/C=C/C)CCCCCCC.CC.
What is the InChIKey of ethane;ethene;(E)-4-methylideneundec-2-ene?
The InChIKey is UVXDMYVKCQNEHJ-XKYXOGKGSA-N. The full InChI is InChI=1S/C12H22.C2H6.C2H4/c1-4-6-7-8-9-11-12(3)10-5-2;2*1-2/h5,10H,3-4,6-9,11H2,1-2H3;1-2H3;1-2H2/b10-5+;;.
What are the key properties of ethane;ethene;(E)-4-methylideneundec-2-ene?
ethane;ethene;(E)-4-methylideneundec-2-ene has a molecular weight of 224.43 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(E)-4-methylideneundec-2-ene is sourced from PubChem (CID 143978439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).