ethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene

C17H30 — CID 143893546

IUPACethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene
SMILESC/C=C\C(\C=C(\C)CC)=C(\C)C=C(C)C.CC
InChIInChI=1S/C15H24.C2H6/c1-7-9-15(11-13(5)8-2)14(6)10-12(3)4;1-2/h7,9-11H,8H2,1-6H3;1-2H3/b9-7-,13-11-,15-14+;
InChIKeyCTZWYCKASKQMKK-JKNLZCCESA-N
MW234.43 g/mol
LogP6.23
Rot. Bonds4

About ethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene

ethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene (PubChem CID 143893546) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is ethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene.

Molecular Properties

Compound Nameethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene
PubChem CID143893546
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Nameethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene
SMILESC/C=C\C(\C=C(\C)CC)=C(\C)C=C(C)C.CC
InChIInChI=1S/C15H24.C2H6/c1-7-9-15(11-13(5)8-2)14(6)10-12(3)4;1-2/h7,9-11H,8H2,1-6H3;1-2H3/b9-7-,13-11-,15-14+;
InChIKeyCTZWYCKASKQMKK-JKNLZCCESA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 56.23
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

(4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene
CID 144520293
ethane;(E)-3-methylpent-2-ene
CID 144523626
ethane;3-methylpent-2-ene;propane
CID 144514263
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
(4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene
CID 143323288
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
butane;ethane;3-methylpent-2-ene
CID 145294341
3-methylpent-2-ene;zirconium
CID 174393280
ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 145032190
ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
CID 142883433
ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 143972745

Frequently Asked Questions

What is the IUPAC name of ethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene?
The IUPAC name of ethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene (CID 143893546) is ethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene.
What is the SMILES notation for ethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene?
The canonical SMILES for ethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene is C/C=C\C(\C=C(\C)CC)=C(\C)C=C(C)C.CC.
What is the InChIKey of ethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene?
The InChIKey is CTZWYCKASKQMKK-JKNLZCCESA-N. The full InChI is InChI=1S/C15H24.C2H6/c1-7-9-15(11-13(5)8-2)14(6)10-12(3)4;1-2/h7,9-11H,8H2,1-6H3;1-2H3/b9-7-,13-11-,15-14+;.
What are the key properties of ethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene?
ethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene has a molecular weight of 234.43 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene is sourced from PubChem (CID 143893546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).