1-methoxydec-1-yne

C11H20O — CID 54295464

IUPAC1-methoxydec-1-yne
SMILESCCCCCCCCC#COC
InChIInChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11-12-2/h3-9H2,1-2H3
InChIKeyPITDXDKJWWRPHU-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.34
Rot. Bonds6

About 1-methoxydec-1-yne

1-methoxydec-1-yne (PubChem CID 54295464) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-methoxydec-1-yne.

Molecular Properties

Compound Name1-methoxydec-1-yne
PubChem CID54295464
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-methoxydec-1-yne
SMILESCCCCCCCCC#COC
InChIInChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11-12-2/h3-9H2,1-2H3
InChIKeyPITDXDKJWWRPHU-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxydec-1-yne?
The IUPAC name of 1-methoxydec-1-yne (CID 54295464) is 1-methoxydec-1-yne.
What is the SMILES notation for 1-methoxydec-1-yne?
The canonical SMILES for 1-methoxydec-1-yne is CCCCCCCCC#COC.
What is the InChIKey of 1-methoxydec-1-yne?
The InChIKey is PITDXDKJWWRPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11-12-2/h3-9H2,1-2H3.
What are the key properties of 1-methoxydec-1-yne?
1-methoxydec-1-yne has a molecular weight of 168.28 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxydec-1-yne is sourced from PubChem (CID 54295464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).