1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol

C38H62Br8O6 — CID 153422685

IUPAC1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol
SMILESCCC(O)COC1C(Br)CC(C(C)(C)C2CC(Br)C(OCC(O)COC3C(Br)CC(C(C)(C)C4CC(Br)C(OC)C(Br)C4)CC3Br)C(Br)C2)CC1Br
InChIInChI=1S/C38H62Br8O6/c1-7-23(47)16-50-34-27(41)10-21(11-28(34)42)38(4,5)22-14-31(45)36(32(46)15-22)52-18-24(48)17-51-35-29(43)12-20(13-30(35)44)37(2,3)19-8-25(39)33(49-6)26(40)9-19/h19-36,47-48H,7-18H2,1-6H3
InChIKeyRWXMEBHFDLFVJK-UHFFFAOYSA-N
MW1254.14 g/mol
LogP11.09
Rot. Bonds15

About 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol

1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol (PubChem CID 153422685) has the molecular formula C38H62Br8O6 and a molecular weight of 1254.14 g/mol. Its IUPAC name is 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol.

Molecular Properties

Compound Name1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol
PubChem CID153422685
Molecular FormulaC38H62Br8O6
Molecular Weight1254.14 g/mol
Exact Mass1245.80
IUPAC Name1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol
SMILESCCC(O)COC1C(Br)CC(C(C)(C)C2CC(Br)C(OCC(O)COC3C(Br)CC(C(C)(C)C4CC(Br)C(OC)C(Br)C4)CC3Br)C(Br)C2)CC1Br
InChIInChI=1S/C38H62Br8O6/c1-7-23(47)16-50-34-27(41)10-21(11-28(34)42)38(4,5)22-14-31(45)36(32(46)15-22)52-18-24(48)17-51-35-29(43)12-20(13-30(35)44)37(2,3)19-8-25(39)33(49-6)26(40)9-19/h19-36,47-48H,7-18H2,1-6H3
InChIKeyRWXMEBHFDLFVJK-UHFFFAOYSA-N
XLogP11.09
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001254.14
LogP ≤ 511.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol?
The IUPAC name of 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol (CID 153422685) is 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol.
What is the SMILES notation for 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol?
The canonical SMILES for 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol is CCC(O)COC1C(Br)CC(C(C)(C)C2CC(Br)C(OCC(O)COC3C(Br)CC(C(C)(C)C4CC(Br)C(OC)C(Br)C4)CC3Br)C(Br)C2)CC1Br.
What is the InChIKey of 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol?
The InChIKey is RWXMEBHFDLFVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H62Br8O6/c1-7-23(47)16-50-34-27(41)10-21(11-28(34)42)38(4,5)22-14-31(45)36(32(46)15-22)52-18-24(48)17-51-35-29(43)12-20(13-30(35)44)37(2,3)19-8-25(39)33(49-6)26(40)9-19/h19-36,47-48H,7-18H2,1-6H3.
What are the key properties of 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol?
1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol has a molecular weight of 1254.14 g/mol, XLogP of 11.09, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxycyclohexyl)propan-2-yl]cyclohexyl]oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxybutan-2-ol is sourced from PubChem (CID 153422685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).