11-hexoxyundec-1-yne

C17H32O — CID 89349998

IUPAC11-hexoxyundec-1-yne
SMILESC#CCCCCCCCCCOCCCCCC
InChIInChI=1S/C17H32O/c1-3-5-7-9-10-11-12-13-15-17-18-16-14-8-6-4-2/h1H,4-17H2,2H3
InChIKeyOFPQDDQNOMTBBW-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.34
Rot. Bonds14

About 11-hexoxyundec-1-yne

11-hexoxyundec-1-yne (PubChem CID 89349998) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 11-hexoxyundec-1-yne.

Molecular Properties

Compound Name11-hexoxyundec-1-yne
PubChem CID89349998
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name11-hexoxyundec-1-yne
SMILESC#CCCCCCCCCCOCCCCCC
InChIInChI=1S/C17H32O/c1-3-5-7-9-10-11-12-13-15-17-18-16-14-8-6-4-2/h1H,4-17H2,2H3
InChIKeyOFPQDDQNOMTBBW-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.34
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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Related Compounds

9-(hexoxymethoxy)non-1-yne
CID 156529681
9-(octoxymethoxy)non-1-yne
CID 156529699
1-(pent-4-ynoxymethoxy)octane
CID 156529634
oct-1-yne
CID 19597608
CID 172706336
CID 172706336
1-(but-3-ynoxymethoxy)hexane
CID 156529666
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766

Frequently Asked Questions

What is the IUPAC name of 11-hexoxyundec-1-yne?
The IUPAC name of 11-hexoxyundec-1-yne (CID 89349998) is 11-hexoxyundec-1-yne.
What is the SMILES notation for 11-hexoxyundec-1-yne?
The canonical SMILES for 11-hexoxyundec-1-yne is C#CCCCCCCCCCOCCCCCC.
What is the InChIKey of 11-hexoxyundec-1-yne?
The InChIKey is OFPQDDQNOMTBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-3-5-7-9-10-11-12-13-15-17-18-16-14-8-6-4-2/h1H,4-17H2,2H3.
What are the key properties of 11-hexoxyundec-1-yne?
11-hexoxyundec-1-yne has a molecular weight of 252.44 g/mol, XLogP of 5.34, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hexoxyundec-1-yne is sourced from PubChem (CID 89349998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).