2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane

C23H42O4 — CID 134973523

IUPAC2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane
SMILESCCCCCCCCCC#C[C@@H](CCCCOC1CCCCO1)OCOC
InChIInChI=1S/C23H42O4/c1-3-4-5-6-7-8-9-10-11-16-22(27-21-24-2)17-12-14-19-25-23-18-13-15-20-26-23/h22-23H,3-10,12-15,17-21H2,1-2H3/t22-,23?/m0/s1
InChIKeyWHPWILQPZXLXCM-NQCNTLBGSA-N
MW382.59 g/mol
LogP5.83
Rot. Bonds16

About 2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane

2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane (PubChem CID 134973523) has the molecular formula C23H42O4 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane.

Molecular Properties

Compound Name2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane
PubChem CID134973523
Molecular FormulaC23H42O4
Molecular Weight382.59 g/mol
Exact Mass382.31
IUPAC Name2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane
SMILESCCCCCCCCCC#C[C@@H](CCCCOC1CCCCO1)OCOC
InChIInChI=1S/C23H42O4/c1-3-4-5-6-7-8-9-10-11-16-22(27-21-24-2)17-12-14-19-25-23-18-13-15-20-26-23/h22-23H,3-10,12-15,17-21H2,1-2H3/t22-,23?/m0/s1
InChIKeyWHPWILQPZXLXCM-NQCNTLBGSA-N
XLogP5.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2H-Pyran, tetrahydro-2-(9-tetradecyn-1-yloxy)-
CID 89211
2H-Pyran, tetrahydro-2-(11-tetradecyn-1-yloxy)-
CID 116741
Npc98736
CID 543312
2H-Pyran, 2-(8-dodecyn-1-yloxy)tetrahydro-
CID 115835
Tetrahydro-2-(12-pentadecynyloxy)-2H-pyran
CID 41961
Trimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane
CID 134904738
2-((S)-Dec-1-yn-5-yloxy)tetrahydro-2H-pyran
CID 11149121
Tetrahydropyranyloxypentadec-10-yne
CID 11174315
2H-Pyran, 2-[(1-ethynylhexyl)oxy]tetrahydro-
CID 11789062
Lithium 2-oct-1-yn-3-yloxyoxane
CID 14188952
2-(7-Hexadecynyloxy)-tetrahydropyran
CID 85775336
1,1,3,5,7,9,9-Heptaethoxynonane
CID 129810504

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane?
The IUPAC name of 2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane (CID 134973523) is 2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane.
What is the SMILES notation for 2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane?
The canonical SMILES for 2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane is CCCCCCCCCC#C[C@@H](CCCCOC1CCCCO1)OCOC.
What is the InChIKey of 2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane?
The InChIKey is WHPWILQPZXLXCM-NQCNTLBGSA-N. The full InChI is InChI=1S/C23H42O4/c1-3-4-5-6-7-8-9-10-11-16-22(27-21-24-2)17-12-14-19-25-23-18-13-15-20-26-23/h22-23H,3-10,12-15,17-21H2,1-2H3/t22-,23?/m0/s1.
What are the key properties of 2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane?
2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane has a molecular weight of 382.59 g/mol, XLogP of 5.83, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-5-(methoxymethoxy)hexadec-6-ynoxy]oxane is sourced from PubChem (CID 134973523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).