ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene

C20H40 — CID 145317511

IUPACethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene
SMILESC/C=C(\C)CC/C(C)=C/CC/C(C)=C/CC.CC.CC
InChIInChI=1S/C16H28.2C2H6/c1-6-9-15(4)10-8-11-16(5)13-12-14(3)7-2;2*1-2/h7,9,11H,6,8,10,12-13H2,1-5H3;2*1-2H3/b14-7+,15-9+,16-11+;;
InChIKeyTURDRUJPTHVGMV-KXMQVHTQSA-N
MW280.54 g/mol
LogP7.87
Rot. Bonds7

About ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene

ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene (PubChem CID 145317511) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene.

Molecular Properties

Compound Nameethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene
PubChem CID145317511
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Nameethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene
SMILESC/C=C(\C)CC/C(C)=C/CC/C(C)=C/CC.CC.CC
InChIInChI=1S/C16H28.2C2H6/c1-6-9-15(4)10-8-11-16(5)13-12-14(3)7-2;2*1-2/h7,9,11H,6,8,10,12-13H2,1-5H3;2*1-2H3/b14-7+,15-9+,16-11+;;
InChIKeyTURDRUJPTHVGMV-KXMQVHTQSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.87
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

3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
3,7-dimethyldeca-2,7-diene
CID 173346067
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784
3,7,11-trimethylhexadeca-2,6,10-triene
CID 54031242
ethane;(5Z)-5-methylocta-1,5-diene
CID 155705867
(2Z,6E)-2-iodo-6-methylnona-2,6-diene
CID 122625935
(5E,9E)-N,5,9-trimethylundeca-5,9-dien-2-imine
CID 129175719
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene
CID 13409854
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
(2Z,6E,10E,14E,18E,22Z)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene
CID 102073218

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene?
The IUPAC name of ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene (CID 145317511) is ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene.
What is the SMILES notation for ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene?
The canonical SMILES for ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene is C/C=C(\C)CC/C(C)=C/CC/C(C)=C/CC.CC.CC.
What is the InChIKey of ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene?
The InChIKey is TURDRUJPTHVGMV-KXMQVHTQSA-N. The full InChI is InChI=1S/C16H28.2C2H6/c1-6-9-15(4)10-8-11-16(5)13-12-14(3)7-2;2*1-2/h7,9,11H,6,8,10,12-13H2,1-5H3;2*1-2H3/b14-7+,15-9+,16-11+;;.
What are the key properties of ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene?
ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene has a molecular weight of 280.54 g/mol, XLogP of 7.87, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,6E,10E)-3,6,10-trimethyltrideca-2,6,10-triene is sourced from PubChem (CID 145317511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).