ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene

C17H32 — CID 143275958

IUPACethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
SMILESC/C=C(/C)CC/C=C(\C)CCC=C(C)C.CC
InChIInChI=1S/C15H26.C2H6/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3;1-2/h6,9,12H,7-8,10-11H2,1-5H3;1-2H3/b14-6-,15-12+;
InChIKeyOSFJLYCZRHWPKY-LTCREPBCSA-N
MW236.44 g/mol
LogP6.45
Rot. Bonds6

About ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene

ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene (PubChem CID 143275958) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene.

Molecular Properties

Compound Nameethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
PubChem CID143275958
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Nameethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
SMILESC/C=C(/C)CC/C=C(\C)CCC=C(C)C.CC
InChIInChI=1S/C15H26.C2H6/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3;1-2/h6,9,12H,7-8,10-11H2,1-5H3;1-2H3/b14-6-,15-12+;
InChIKeyOSFJLYCZRHWPKY-LTCREPBCSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
dichlorozinc;(6E)-2,6-dimethylocta-2,6-diene
CID 174338717
(6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene
CID 88841659
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene
CID 145317511
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438

Frequently Asked Questions

What is the IUPAC name of ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene?
The IUPAC name of ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene (CID 143275958) is ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene.
What is the SMILES notation for ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene?
The canonical SMILES for ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene is C/C=C(/C)CC/C=C(\C)CCC=C(C)C.CC.
What is the InChIKey of ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene?
The InChIKey is OSFJLYCZRHWPKY-LTCREPBCSA-N. The full InChI is InChI=1S/C15H26.C2H6/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3;1-2/h6,9,12H,7-8,10-11H2,1-5H3;1-2H3/b14-6-,15-12+;.
What are the key properties of ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene?
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene has a molecular weight of 236.44 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene is sourced from PubChem (CID 143275958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).