ethane;(2Z,4E)-5,6,6-trimethylundeca-2,4-diene

C16H32 — CID 144969573

IUPACethane;(2Z,4E)-5,6,6-trimethylundeca-2,4-diene
SMILESC/C=C\C=C(/C)C(C)(C)CCCCC.CC
InChIInChI=1S/C14H26.C2H6/c1-6-8-10-12-14(4,5)13(3)11-9-7-2;1-2/h7,9,11H,6,8,10,12H2,1-5H3;1-2H3/b9-7-,13-11+;
InChIKeySJGNNQKTHQXDLP-APFUQSGBSA-N
MW224.43 g/mol
LogP6.14
Rot. Bonds6

About ethane;(2Z,4E)-5,6,6-trimethylundeca-2,4-diene

ethane;(2Z,4E)-5,6,6-trimethylundeca-2,4-diene (PubChem CID 144969573) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is ethane;(2Z,4E)-5,6,6-trimethylundeca-2,4-diene.

Molecular Properties

Compound Nameethane;(2Z,4E)-5,6,6-trimethylundeca-2,4-diene
PubChem CID144969573
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Nameethane;(2Z,4E)-5,6,6-trimethylundeca-2,4-diene
SMILESC/C=C\C=C(/C)C(C)(C)CCCCC.CC
InChIInChI=1S/C14H26.C2H6/c1-6-8-10-12-14(4,5)13(3)11-9-7-2;1-2/h7,9,11H,6,8,10,12H2,1-5H3;1-2H3/b9-7-,13-11+;
InChIKeySJGNNQKTHQXDLP-APFUQSGBSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5E,7Z)-5-methyl-4-propylnona-5,7-dien-4-ol
CID 143524444
3,4,4-trimethylpentadec-2-enoic acid
CID 54316493
(2E,4E)-5-methyldeca-2,4-diene
CID 14899750
3,3-dimethyloctane;ethane
CID 145013248
(2E,4E)-5-methyldodeca-2,4-diene
CID 143978306
4-ethyl-4-methylnon-2-ene
CID 123220710
3,3-dimethyldodecane
CID 15930786
3,3-dimethylpentadecane
CID 86034940
4,4-dimethylnon-2-ene
CID 54495291
(E)-4-ethyl-4-methyldec-2-ene
CID 134979777
(2Z,4Z)-5-methyl-6-methylidenedodeca-2,4-diene
CID 143693858
N-ethyl-2,2-dimethylheptanamide
CID 168939290

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4E)-5,6,6-trimethylundeca-2,4-diene?
The IUPAC name of ethane;(2Z,4E)-5,6,6-trimethylundeca-2,4-diene (CID 144969573) is ethane;(2Z,4E)-5,6,6-trimethylundeca-2,4-diene.
What is the SMILES notation for ethane;(2Z,4E)-5,6,6-trimethylundeca-2,4-diene?
The canonical SMILES for ethane;(2Z,4E)-5,6,6-trimethylundeca-2,4-diene is C/C=C\C=C(/C)C(C)(C)CCCCC.CC.
What is the InChIKey of ethane;(2Z,4E)-5,6,6-trimethylundeca-2,4-diene?
The InChIKey is SJGNNQKTHQXDLP-APFUQSGBSA-N. The full InChI is InChI=1S/C14H26.C2H6/c1-6-8-10-12-14(4,5)13(3)11-9-7-2;1-2/h7,9,11H,6,8,10,12H2,1-5H3;1-2H3/b9-7-,13-11+;.
What are the key properties of ethane;(2Z,4E)-5,6,6-trimethylundeca-2,4-diene?
ethane;(2Z,4E)-5,6,6-trimethylundeca-2,4-diene has a molecular weight of 224.43 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E)-5,6,6-trimethylundeca-2,4-diene is sourced from PubChem (CID 144969573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).