1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol

C72H122O21 — CID 88949718

IUPAC1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol
SMILESC#CC#CC#CC#CC#CC#COC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCO
InChIInChI=1S/C72H122O21/c1-2-3-4-5-6-7-8-9-10-32-53-84-64(75)43-22-12-34-55-86-66(77)45-24-14-36-57-88-68(79)47-26-16-38-59-90-70(81)49-28-18-40-61-92-72(83)51-30-20-41-62-93-71(82)50-29-19-39-60-91-69(80)48-27-17-37-58-89-67(78)46-25-15-35-56-87-65(76)44-23-13-33-54-85-63(74)42-21-11-31-52-73/h1,63-83H,11-31,33-52,54-62H2
InChIKeyIVISNVVOVHPART-UHFFFAOYSA-N
MW1323.75 g/mol
LogP8.54
Rot. Bonds69

About 1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol

1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol (PubChem CID 88949718) has the molecular formula C72H122O21 and a molecular weight of 1323.75 g/mol. Its IUPAC name is 1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol.

Molecular Properties

Compound Name1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol
PubChem CID88949718
Molecular FormulaC72H122O21
Molecular Weight1323.75 g/mol
Exact Mass1322.85
IUPAC Name1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol
SMILESC#CC#CC#CC#CC#CC#COC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCO
InChIInChI=1S/C72H122O21/c1-2-3-4-5-6-7-8-9-10-32-53-84-64(75)43-22-12-34-55-86-66(77)45-24-14-36-57-88-68(79)47-26-16-38-59-90-70(81)49-28-18-40-61-92-72(83)51-30-20-41-62-93-71(82)50-29-19-39-60-91-69(80)48-27-17-37-58-89-67(78)46-25-15-35-56-87-65(76)44-23-13-33-54-85-63(74)42-21-11-31-52-73/h1,63-83H,11-31,33-52,54-62H2
InChIKeyIVISNVVOVHPART-UHFFFAOYSA-N
XLogP8.54
TPSA314.83 Ų
H-Bond Donors11
H-Bond Acceptors21
Rotatable Bonds69
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001323.75
LogP ≤ 58.54
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1021

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'}

Analyze 1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol with MolForge

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Related Compounds

1-(2-hydroxyethoxy)decane-1,10-diol
CID 174299376
1-butoxyoctane-1,8-diol
CID 87774765
1-icosoxybutane-1,4-diol
CID 175387447
1-(2-hydroxyethoxy)butane-1,4-diol
CID 57013926
1-[8-hydroxy-3-(2-hydroxyethoxy)octoxy]hexane-1,6-diol
CID 88896545
6-(1-hydroxypropoxy)hexane-1,1-diol
CID 59547424
6-(difluoromethoxy)hexan-1-ol
CID 169119350
1-undecoxybutan-1-ol
CID 139971924
2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol
CID 172703318
5-docosan-5-yloxypentan-1-ol
CID 139884775
1-(2-heptadecoxyethoxy)hexadecan-1-ol
CID 164522855
heptacosane-1,10,27-triol
CID 56980866

Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol?
The IUPAC name of 1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol (CID 88949718) is 1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol.
What is the SMILES notation for 1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol?
The canonical SMILES for 1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol is C#CC#CC#CC#CC#CC#COC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCOC(O)CCCCCO.
What is the InChIKey of 1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol?
The InChIKey is IVISNVVOVHPART-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H122O21/c1-2-3-4-5-6-7-8-9-10-32-53-84-64(75)43-22-12-34-55-86-66(77)45-24-14-36-57-88-68(79)47-26-16-38-59-90-70(81)49-28-18-40-61-92-72(83)51-30-20-41-62-93-71(82)50-29-19-39-60-91-69(80)48-27-17-37-58-89-67(78)46-25-15-35-56-87-65(76)44-23-13-33-54-85-63(74)42-21-11-31-52-73/h1,63-83H,11-31,33-52,54-62H2.
What are the key properties of 1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol?
1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol has a molecular weight of 1323.75 g/mol, XLogP of 8.54, 69 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-[6-[6-[6-[6-[6-[6-(6-dodeca-1,3,5,7,9,11-hexaynoxy-6-hydroxyhexoxy)-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]-6-hydroxyhexoxy]hexane-1,6-diol is sourced from PubChem (CID 88949718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).