(3E,5E)-8-methoxy-2,7,9-trimethyldeca-3,5-diene

C14H26O — CID 10584595

IUPAC(3E,5E)-8-methoxy-2,7,9-trimethyldeca-3,5-diene
SMILESCOC(C(C)C)C(C)/C=C/C=C/C(C)C
InChIInChI=1S/C14H26O/c1-11(2)9-7-8-10-13(5)14(15-6)12(3)4/h7-14H,1-6H3/b9-7+,10-8+
InChIKeyLTRVLXLKRUQPDX-FIFLTTCUSA-N
MW210.36 g/mol
LogP4.06
Rot. Bonds6

About (3E,5E)-8-methoxy-2,7,9-trimethyldeca-3,5-diene

(3E,5E)-8-methoxy-2,7,9-trimethyldeca-3,5-diene (PubChem CID 10584595) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (3E,5E)-8-methoxy-2,7,9-trimethyldeca-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-8-methoxy-2,7,9-trimethyldeca-3,5-diene
PubChem CID10584595
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(3E,5E)-8-methoxy-2,7,9-trimethyldeca-3,5-diene
SMILESCOC(C(C)C)C(C)/C=C/C=C/C(C)C
InChIInChI=1S/C14H26O/c1-11(2)9-7-8-10-13(5)14(15-6)12(3)4/h7-14H,1-6H3/b9-7+,10-8+
InChIKeyLTRVLXLKRUQPDX-FIFLTTCUSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-8-methoxy-2,7,9-trimethyldeca-3,5-diene?
The IUPAC name of (3E,5E)-8-methoxy-2,7,9-trimethyldeca-3,5-diene (CID 10584595) is (3E,5E)-8-methoxy-2,7,9-trimethyldeca-3,5-diene.
What is the SMILES notation for (3E,5E)-8-methoxy-2,7,9-trimethyldeca-3,5-diene?
The canonical SMILES for (3E,5E)-8-methoxy-2,7,9-trimethyldeca-3,5-diene is COC(C(C)C)C(C)/C=C/C=C/C(C)C.
What is the InChIKey of (3E,5E)-8-methoxy-2,7,9-trimethyldeca-3,5-diene?
The InChIKey is LTRVLXLKRUQPDX-FIFLTTCUSA-N. The full InChI is InChI=1S/C14H26O/c1-11(2)9-7-8-10-13(5)14(15-6)12(3)4/h7-14H,1-6H3/b9-7+,10-8+.
What are the key properties of (3E,5E)-8-methoxy-2,7,9-trimethyldeca-3,5-diene?
(3E,5E)-8-methoxy-2,7,9-trimethyldeca-3,5-diene has a molecular weight of 210.36 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-8-methoxy-2,7,9-trimethyldeca-3,5-diene is sourced from PubChem (CID 10584595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).