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

C17H32O — CID 58982102

IUPAC(3E,5E)-8-methoxy-2,2,7,7,9,9-hexamethyldeca-3,5-diene
SMILESCOC(C(C)(C)C)C(C)(C)/C=C/C=C/C(C)(C)C
InChIInChI=1S/C17H32O/c1-15(2,3)12-10-11-13-17(7,8)14(18-9)16(4,5)6/h10-14H,1-9H3/b12-10+,13-11+
InChIKeyBPHFZJFUMXHYJO-DCIPZJNNSA-N
MW252.44 g/mol
LogP5.23
Rot. Bonds4

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

(3E,5E)-8-methoxy-2,2,7,7,9,9-hexamethyldeca-3,5-diene (PubChem CID 58982102) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is (3E,5E)-8-methoxy-2,2,7,7,9,9-hexamethyldeca-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-8-methoxy-2,2,7,7,9,9-hexamethyldeca-3,5-diene
PubChem CID58982102
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name(3E,5E)-8-methoxy-2,2,7,7,9,9-hexamethyldeca-3,5-diene
SMILESCOC(C(C)(C)C)C(C)(C)/C=C/C=C/C(C)(C)C
InChIInChI=1S/C17H32O/c1-15(2,3)12-10-11-13-17(7,8)14(18-9)16(4,5)6/h10-14H,1-9H3/b12-10+,13-11+
InChIKeyBPHFZJFUMXHYJO-DCIPZJNNSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.23
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-2,2,7,7,9,9-hexamethyldeca-3,5-diene?
The IUPAC name of (3E,5E)-8-methoxy-2,2,7,7,9,9-hexamethyldeca-3,5-diene (CID 58982102) is (3E,5E)-8-methoxy-2,2,7,7,9,9-hexamethyldeca-3,5-diene.
What is the SMILES notation for (3E,5E)-8-methoxy-2,2,7,7,9,9-hexamethyldeca-3,5-diene?
The canonical SMILES for (3E,5E)-8-methoxy-2,2,7,7,9,9-hexamethyldeca-3,5-diene is COC(C(C)(C)C)C(C)(C)/C=C/C=C/C(C)(C)C.
What is the InChIKey of (3E,5E)-8-methoxy-2,2,7,7,9,9-hexamethyldeca-3,5-diene?
The InChIKey is BPHFZJFUMXHYJO-DCIPZJNNSA-N. The full InChI is InChI=1S/C17H32O/c1-15(2,3)12-10-11-13-17(7,8)14(18-9)16(4,5)6/h10-14H,1-9H3/b12-10+,13-11+.
What are the key properties of (3E,5E)-8-methoxy-2,2,7,7,9,9-hexamethyldeca-3,5-diene?
(3E,5E)-8-methoxy-2,2,7,7,9,9-hexamethyldeca-3,5-diene has a molecular weight of 252.44 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-8-methoxy-2,2,7,7,9,9-hexamethyldeca-3,5-diene is sourced from PubChem (CID 58982102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).