(2E,6E)-11-methoxy-6,11-dimethyltrideca-2,6-diene

C16H30O — CID 6365748

IUPAC(2E,6E)-11-methoxy-6,11-dimethyltrideca-2,6-diene
SMILESC/C=C/CC/C(C)=C/CCCC(C)(CC)OC
InChIInChI=1S/C16H30O/c1-6-8-9-12-15(3)13-10-11-14-16(4,7-2)17-5/h6,8,13H,7,9-12,14H2,1-5H3/b8-6+,15-13+
InChIKeyWZXXUCGWWVCQNM-YNYATCQHSA-N
MW238.41 g/mol
LogP5.27
Rot. Bonds9

About (2E,6E)-11-methoxy-6,11-dimethyltrideca-2,6-diene

(2E,6E)-11-methoxy-6,11-dimethyltrideca-2,6-diene (PubChem CID 6365748) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (2E,6E)-11-methoxy-6,11-dimethyltrideca-2,6-diene.

Molecular Properties

Compound Name(2E,6E)-11-methoxy-6,11-dimethyltrideca-2,6-diene
PubChem CID6365748
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(2E,6E)-11-methoxy-6,11-dimethyltrideca-2,6-diene
SMILESC/C=C/CC/C(C)=C/CCCC(C)(CC)OC
InChIInChI=1S/C16H30O/c1-6-8-9-12-15(3)13-10-11-14-16(4,7-2)17-5/h6,8,13H,7,9-12,14H2,1-5H3/b8-6+,15-13+
InChIKeyWZXXUCGWWVCQNM-YNYATCQHSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-11-methoxy-6,11-dimethyltrideca-2,6-diene?
The IUPAC name of (2E,6E)-11-methoxy-6,11-dimethyltrideca-2,6-diene (CID 6365748) is (2E,6E)-11-methoxy-6,11-dimethyltrideca-2,6-diene.
What is the SMILES notation for (2E,6E)-11-methoxy-6,11-dimethyltrideca-2,6-diene?
The canonical SMILES for (2E,6E)-11-methoxy-6,11-dimethyltrideca-2,6-diene is C/C=C/CC/C(C)=C/CCCC(C)(CC)OC.
What is the InChIKey of (2E,6E)-11-methoxy-6,11-dimethyltrideca-2,6-diene?
The InChIKey is WZXXUCGWWVCQNM-YNYATCQHSA-N. The full InChI is InChI=1S/C16H30O/c1-6-8-9-12-15(3)13-10-11-14-16(4,7-2)17-5/h6,8,13H,7,9-12,14H2,1-5H3/b8-6+,15-13+.
What are the key properties of (2E,6E)-11-methoxy-6,11-dimethyltrideca-2,6-diene?
(2E,6E)-11-methoxy-6,11-dimethyltrideca-2,6-diene has a molecular weight of 238.41 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-11-methoxy-6,11-dimethyltrideca-2,6-diene is sourced from PubChem (CID 6365748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).