C279H436O63 — CID 162453886
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(hydroxymethyl)-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butan-1-ol (PubChem CID 162453886) has the molecular formula C279H436O63 and a molecular weight of 4798.49 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(hydroxymethyl)-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butan-1-ol.
| Compound Name | 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(hydroxymethyl)-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butan-1-ol |
|---|---|
| PubChem CID | 162453886 |
| Molecular Formula | C279H436O63 |
| Molecular Weight | 4798.49 g/mol |
| Exact Mass | 4795.09 |
| IUPAC Name | 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(hydroxymethyl)-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butan-1-ol |
| SMILES | C#CCOCC(CC)(CO)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(COCC#C)COCC(CC)(CO)COCC#C |
| InChI | InChI=1S/C279H436O63/c1-63-125-282-158-249(94-32,156-280)160-313-191-251(96-34,162-284-127-65-3)193-315-195-253(98-36,164-286-129-67-5)197-317-199-255(100-38,166-288-131-69-7)201-319-203-257(102-40,168-290-133-71-9)205-321-207-259(104-42,170-292-135-73-11)209-323-211-261(106-44,172-294-137-75-13)213-325-215-263(108-46,174-296-139-77-15)217-327-219-265(110-48,176-298-141-79-17)221-329-223-267(112-50,178-300-143-81-19)225-331-227-269(114-52,180-302-145-83-21)229-333-231-271(116-54,182-304-147-85-23)233-335-235-273(118-56,184-306-149-87-25)237-337-239-275(120-58,186-308-151-89-27)241-339-243-277(122-60,188-310-153-91-29)245-341-247-279(124-62,190-312-155-93-31)248-342-246-278(123-61,189-311-154-92-30)244-340-242-276(121-59,187-309-152-90-28)240-338-238-274(119-57,185-307-150-88-26)236-336-234-272(117-55,183-305-148-86-24)232-334-230-270(115-53,181-303-146-84-22)228-332-226-268(113-51,179-301-144-82-20)224-330-222-266(111-49,177-299-142-80-18)220-328-218-264(109-47,175-297-140-78-16)216-326-214-262(107-45,173-295-138-76-14)212-324-210-260(105-43,171-293-136-74-12)208-322-206-258(103-41,169-291-134-72-10)204-320-202-256(101-39,167-289-132-70-8)200-318-198-254(99-37,165-287-130-68-6)196-316-194-252(97-35,163-285-128-66-4)192-314-161-250(95-33,157-281)159-283-126-64-2/h1-31,280-281H,94-248H2,32-62H3 |
| InChIKey | DADRKFPQCUQOIS-UHFFFAOYSA-N |
| XLogP | 31.90 |
| TPSA | 603.49 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 63 |
| Rotatable Bonds | 246 |
| Heavy Atoms | 342 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4798.49 |
| LogP ≤ 5 | 31.90 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 63 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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