9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne

C17H32O2 — CID 158832228

IUPAC9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne
SMILES[2H]CCCOCCCCCOCCCCCC#CCC
InChIInChI=1S/C17H32O2/c1-3-5-6-7-8-9-11-16-19-17-13-10-12-15-18-14-4-2/h3-4,7-17H2,1-2H3/i2D
InChIKeyNZSKIAVTOUNIFY-VMNATFBRSA-N
MW269.45 g/mol
LogP4.57
Rot. Bonds14

About 9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne

9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne (PubChem CID 158832228) has the molecular formula C17H32O2 and a molecular weight of 269.45 g/mol. Its IUPAC name is 9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne.

Molecular Properties

Compound Name9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne
PubChem CID158832228
Molecular FormulaC17H32O2
Molecular Weight269.45 g/mol
Exact Mass269.25
IUPAC Name9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne
SMILES[2H]CCCOCCCCCOCCCCCC#CCC
InChIInChI=1S/C17H32O2/c1-3-5-6-7-8-9-11-16-19-17-13-10-12-15-18-14-4-2/h3-4,7-17H2,1-2H3/i2D
InChIKeyNZSKIAVTOUNIFY-VMNATFBRSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

hexadeca-3,9-diyne
CID 54568863
hexacos-3-yne
CID 22223851
1-oct-3-ynoxynonane
CID 175464713
dodec-9-ynoxy-diethyl-undecoxysilane
CID 91737547
chloro-dodec-9-ynoxy-diethylsilane
CID 91704339
undec-8-ynyl propanoate
CID 132532033
methane;bis(oct-3-yne)
CID 159540057
5-O-dodec-9-ynyl 1-O-propyl pentanedioate
CID 91708269
non-6-yn-1-ol
CID 3017913
non-6-yn-1-amine
CID 87675821
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677

Frequently Asked Questions

What is the IUPAC name of 9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne?
The IUPAC name of 9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne (CID 158832228) is 9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne.
What is the SMILES notation for 9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne?
The canonical SMILES for 9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne is [2H]CCCOCCCCCOCCCCCC#CCC.
What is the InChIKey of 9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne?
The InChIKey is NZSKIAVTOUNIFY-VMNATFBRSA-N. The full InChI is InChI=1S/C17H32O2/c1-3-5-6-7-8-9-11-16-19-17-13-10-12-15-18-14-4-2/h3-4,7-17H2,1-2H3/i2D.
What are the key properties of 9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne?
9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne has a molecular weight of 269.45 g/mol, XLogP of 4.57, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(3-deuteriopropoxy)pentoxy]non-3-yne is sourced from PubChem (CID 158832228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).