6-methoxydec-9-en-4-yn-1-ol

C11H18O2 — CID 71418972

IUPAC6-methoxydec-9-en-4-yn-1-ol
SMILESC=CCCC(C#CCCCO)OC
InChIInChI=1S/C11H18O2/c1-3-4-8-11(13-2)9-6-5-7-10-12/h3,11-12H,1,4-5,7-8,10H2,2H3
InChIKeyFXRTUZFFYIBMKB-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.74
Rot. Bonds6

About 6-methoxydec-9-en-4-yn-1-ol

6-methoxydec-9-en-4-yn-1-ol (PubChem CID 71418972) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6-methoxydec-9-en-4-yn-1-ol.

Molecular Properties

Compound Name6-methoxydec-9-en-4-yn-1-ol
PubChem CID71418972
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6-methoxydec-9-en-4-yn-1-ol
SMILESC=CCCC(C#CCCCO)OC
InChIInChI=1S/C11H18O2/c1-3-4-8-11(13-2)9-6-5-7-10-12/h3,11-12H,1,4-5,7-8,10H2,2H3
InChIKeyFXRTUZFFYIBMKB-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.74
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxydec-9-en-4-yn-1-ol?
The IUPAC name of 6-methoxydec-9-en-4-yn-1-ol (CID 71418972) is 6-methoxydec-9-en-4-yn-1-ol.
What is the SMILES notation for 6-methoxydec-9-en-4-yn-1-ol?
The canonical SMILES for 6-methoxydec-9-en-4-yn-1-ol is C=CCCC(C#CCCCO)OC.
What is the InChIKey of 6-methoxydec-9-en-4-yn-1-ol?
The InChIKey is FXRTUZFFYIBMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-8-11(13-2)9-6-5-7-10-12/h3,11-12H,1,4-5,7-8,10H2,2H3.
What are the key properties of 6-methoxydec-9-en-4-yn-1-ol?
6-methoxydec-9-en-4-yn-1-ol has a molecular weight of 182.26 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxydec-9-en-4-yn-1-ol is sourced from PubChem (CID 71418972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).