(2R)-2-dodec-9-ynoxyoxane

C17H30O2 — CID 3084948

IUPAC(2R)-2-dodec-9-ynoxyoxane
SMILESCCC#CCCCCCCCCO[C@@H]1CCCCO1
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h17H,2,5-16H2,1H3/t17-/m0/s1
InChIKeyNMVNIBLRAWKODI-KRWDZBQOSA-N
MW266.42 g/mol
LogP4.67
Rot. Bonds9

About (2R)-2-dodec-9-ynoxyoxane

(2R)-2-dodec-9-ynoxyoxane (PubChem CID 3084948) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (2R)-2-dodec-9-ynoxyoxane.

Molecular Properties

Compound Name(2R)-2-dodec-9-ynoxyoxane
PubChem CID3084948
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(2R)-2-dodec-9-ynoxyoxane
SMILESCCC#CCCCCCCCCO[C@@H]1CCCCO1
InChIInChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h17H,2,5-16H2,1H3/t17-/m0/s1
InChIKeyNMVNIBLRAWKODI-KRWDZBQOSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.67
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-dodec-9-ynoxyoxane?
The IUPAC name of (2R)-2-dodec-9-ynoxyoxane (CID 3084948) is (2R)-2-dodec-9-ynoxyoxane.
What is the SMILES notation for (2R)-2-dodec-9-ynoxyoxane?
The canonical SMILES for (2R)-2-dodec-9-ynoxyoxane is CCC#CCCCCCCCCO[C@@H]1CCCCO1.
What is the InChIKey of (2R)-2-dodec-9-ynoxyoxane?
The InChIKey is NMVNIBLRAWKODI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h17H,2,5-16H2,1H3/t17-/m0/s1.
What are the key properties of (2R)-2-dodec-9-ynoxyoxane?
(2R)-2-dodec-9-ynoxyoxane has a molecular weight of 266.42 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-dodec-9-ynoxyoxane is sourced from PubChem (CID 3084948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).