1-methoxy-2-methyldodec-11-en-2-ol

C14H28O2 — CID 173034099

IUPAC1-methoxy-2-methyldodec-11-en-2-ol
SMILESC=CCCCCCCCCC(C)(O)COC
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-12-14(2,15)13-16-3/h4,15H,1,5-13H2,2-3H3
InChIKeyFUKADJUZHQXUKX-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.69
Rot. Bonds11

About 1-methoxy-2-methyldodec-11-en-2-ol

1-methoxy-2-methyldodec-11-en-2-ol (PubChem CID 173034099) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-methoxy-2-methyldodec-11-en-2-ol.

Molecular Properties

Compound Name1-methoxy-2-methyldodec-11-en-2-ol
PubChem CID173034099
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-methoxy-2-methyldodec-11-en-2-ol
SMILESC=CCCCCCCCCC(C)(O)COC
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-12-14(2,15)13-16-3/h4,15H,1,5-13H2,2-3H3
InChIKeyFUKADJUZHQXUKX-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-methoxy-2-methyldodec-11-en-2-ol?
The IUPAC name of 1-methoxy-2-methyldodec-11-en-2-ol (CID 173034099) is 1-methoxy-2-methyldodec-11-en-2-ol.
What is the SMILES notation for 1-methoxy-2-methyldodec-11-en-2-ol?
The canonical SMILES for 1-methoxy-2-methyldodec-11-en-2-ol is C=CCCCCCCCCC(C)(O)COC.
What is the InChIKey of 1-methoxy-2-methyldodec-11-en-2-ol?
The InChIKey is FUKADJUZHQXUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-12-14(2,15)13-16-3/h4,15H,1,5-13H2,2-3H3.
What are the key properties of 1-methoxy-2-methyldodec-11-en-2-ol?
1-methoxy-2-methyldodec-11-en-2-ol has a molecular weight of 228.38 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyldodec-11-en-2-ol is sourced from PubChem (CID 173034099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).