butane;ethane;(2Z,4E,6E)-11-ethyl-4-methoxy-7,9-dimethyltetradeca-2,4,6-triene

C25H50O — CID 144523829

IUPACbutane;ethane;(2Z,4E,6E)-11-ethyl-4-methoxy-7,9-dimethyltetradeca-2,4,6-triene
SMILESC/C=C\C(=C/C=C(\C)CC(C)CC(CC)CCC)OC.CC.CCCC
InChIInChI=1S/C19H34O.C4H10.C2H6/c1-7-10-18(9-3)15-17(5)14-16(4)12-13-19(20-6)11-8-2;1-3-4-2;1-2/h8,11-13,17-18H,7,9-10,14-15H2,1-6H3;3-4H2,1-2H3;1-2H3/b11-8-,16-12+,19-13+;;
InChIKeyGWCQBTKSASBXGW-BCSNFECRSA-N
MW366.67 g/mol
LogP9.11
Rot. Bonds11

About butane;ethane;(2Z,4E,6E)-11-ethyl-4-methoxy-7,9-dimethyltetradeca-2,4,6-triene

butane;ethane;(2Z,4E,6E)-11-ethyl-4-methoxy-7,9-dimethyltetradeca-2,4,6-triene (PubChem CID 144523829) has the molecular formula C25H50O and a molecular weight of 366.67 g/mol. Its IUPAC name is butane;ethane;(2Z,4E,6E)-11-ethyl-4-methoxy-7,9-dimethyltetradeca-2,4,6-triene.

Molecular Properties

Compound Namebutane;ethane;(2Z,4E,6E)-11-ethyl-4-methoxy-7,9-dimethyltetradeca-2,4,6-triene
PubChem CID144523829
Molecular FormulaC25H50O
Molecular Weight366.67 g/mol
Exact Mass366.39
IUPAC Namebutane;ethane;(2Z,4E,6E)-11-ethyl-4-methoxy-7,9-dimethyltetradeca-2,4,6-triene
SMILESC/C=C\C(=C/C=C(\C)CC(C)CC(CC)CCC)OC.CC.CCCC
InChIInChI=1S/C19H34O.C4H10.C2H6/c1-7-10-18(9-3)15-17(5)14-16(4)12-13-19(20-6)11-8-2;1-3-4-2;1-2/h8,11-13,17-18H,7,9-10,14-15H2,1-6H3;3-4H2,1-2H3;1-2H3/b11-8-,16-12+,19-13+;;
InChIKeyGWCQBTKSASBXGW-BCSNFECRSA-N
XLogP9.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.67
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butane;ethane;(2Z,4E,6E)-11-ethyl-4-methoxy-7,9-dimethyltetradeca-2,4,6-triene?
The IUPAC name of butane;ethane;(2Z,4E,6E)-11-ethyl-4-methoxy-7,9-dimethyltetradeca-2,4,6-triene (CID 144523829) is butane;ethane;(2Z,4E,6E)-11-ethyl-4-methoxy-7,9-dimethyltetradeca-2,4,6-triene.
What is the SMILES notation for butane;ethane;(2Z,4E,6E)-11-ethyl-4-methoxy-7,9-dimethyltetradeca-2,4,6-triene?
The canonical SMILES for butane;ethane;(2Z,4E,6E)-11-ethyl-4-methoxy-7,9-dimethyltetradeca-2,4,6-triene is C/C=C\C(=C/C=C(\C)CC(C)CC(CC)CCC)OC.CC.CCCC.
What is the InChIKey of butane;ethane;(2Z,4E,6E)-11-ethyl-4-methoxy-7,9-dimethyltetradeca-2,4,6-triene?
The InChIKey is GWCQBTKSASBXGW-BCSNFECRSA-N. The full InChI is InChI=1S/C19H34O.C4H10.C2H6/c1-7-10-18(9-3)15-17(5)14-16(4)12-13-19(20-6)11-8-2;1-3-4-2;1-2/h8,11-13,17-18H,7,9-10,14-15H2,1-6H3;3-4H2,1-2H3;1-2H3/b11-8-,16-12+,19-13+;;.
What are the key properties of butane;ethane;(2Z,4E,6E)-11-ethyl-4-methoxy-7,9-dimethyltetradeca-2,4,6-triene?
butane;ethane;(2Z,4E,6E)-11-ethyl-4-methoxy-7,9-dimethyltetradeca-2,4,6-triene has a molecular weight of 366.67 g/mol, XLogP of 9.11, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;(2Z,4E,6E)-11-ethyl-4-methoxy-7,9-dimethyltetradeca-2,4,6-triene is sourced from PubChem (CID 144523829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).