(6R)-1-(methoxymethoxy)dodec-4-yn-6-ol

C14H26O3 — CID 10657813

IUPAC(6R)-1-(methoxymethoxy)dodec-4-yn-6-ol
SMILESCCCCCC[C@@H](O)C#CCCCOCOC
InChIInChI=1S/C14H26O3/c1-3-4-5-7-10-14(15)11-8-6-9-12-17-13-16-2/h14-15H,3-7,9-10,12-13H2,1-2H3/t14-/m1/s1
InChIKeyJGRUSUFSKXDQJB-CQSZACIVSA-N
MW242.36 g/mol
LogP2.72
Rot. Bonds10

About (6R)-1-(methoxymethoxy)dodec-4-yn-6-ol

(6R)-1-(methoxymethoxy)dodec-4-yn-6-ol (PubChem CID 10657813) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (6R)-1-(methoxymethoxy)dodec-4-yn-6-ol.

Molecular Properties

Compound Name(6R)-1-(methoxymethoxy)dodec-4-yn-6-ol
PubChem CID10657813
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(6R)-1-(methoxymethoxy)dodec-4-yn-6-ol
SMILESCCCCCC[C@@H](O)C#CCCCOCOC
InChIInChI=1S/C14H26O3/c1-3-4-5-7-10-14(15)11-8-6-9-12-17-13-16-2/h14-15H,3-7,9-10,12-13H2,1-2H3/t14-/m1/s1
InChIKeyJGRUSUFSKXDQJB-CQSZACIVSA-N
XLogP2.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tetracos-13-yn-12-ol
CID 169488986
heptacos-10-yn-9-ol
CID 11058298
[(6R)-16-(methoxymethoxy)hexadec-7-yn-6-yl] acetate
CID 11186868
(16R)-16-hydroxyicos-14-ynenitrile
CID 87985240
icosa-6,15-diyn-5-ol
CID 18710567
(2R)-dec-3-yn-2-ol
CID 129384454
(2S)-heptadec-3-yn-2-ol
CID 58473313
(2R)-1-(methoxymethoxy)hexadecan-2-ol
CID 10518499
7-hydroxydodec-5-ynoic acid
CID 169494808
ethyl 2-[(13R)-13-hydroxyheptadec-11-ynoxy]acetate
CID 87985186
methyl (12S)-12-hydroxyheptadec-13-ynoate
CID 10424672
6-hydroxyundec-4-ynyl benzoate
CID 11022548

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(methoxymethoxy)dodec-4-yn-6-ol?
The IUPAC name of (6R)-1-(methoxymethoxy)dodec-4-yn-6-ol (CID 10657813) is (6R)-1-(methoxymethoxy)dodec-4-yn-6-ol.
What is the SMILES notation for (6R)-1-(methoxymethoxy)dodec-4-yn-6-ol?
The canonical SMILES for (6R)-1-(methoxymethoxy)dodec-4-yn-6-ol is CCCCCC[C@@H](O)C#CCCCOCOC.
What is the InChIKey of (6R)-1-(methoxymethoxy)dodec-4-yn-6-ol?
The InChIKey is JGRUSUFSKXDQJB-CQSZACIVSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-4-5-7-10-14(15)11-8-6-9-12-17-13-16-2/h14-15H,3-7,9-10,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (6R)-1-(methoxymethoxy)dodec-4-yn-6-ol?
(6R)-1-(methoxymethoxy)dodec-4-yn-6-ol has a molecular weight of 242.36 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(methoxymethoxy)dodec-4-yn-6-ol is sourced from PubChem (CID 10657813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).