6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate

C70H88O10 — CID 91409634

IUPAC6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc(Cc2ccc(Cc3ccc(OCCCCCCOC(=O)C=C)cc3)cc2)cc1.OCCCCCCOc1ccc(Cc2ccc(Cc3ccc(OCCCCCCO)cc3)cc2)cc1
InChIInChI=1S/C38H46O6.C32H42O4/c1-3-37(39)43-27-11-7-5-9-25-41-35-21-17-33(18-22-35)29-31-13-15-32(16-14-31)30-34-19-23-36(24-20-34)42-26-10-6-8-12-28-44-38(40)4-2;33-21-5-1-3-7-23-35-31-17-13-29(14-18-31)25-27-9-11-28(12-10-27)26-30-15-19-32(20-16-30)36-24-8-4-2-6-22-34/h3-4,13-24H,1-2,5-12,25-30H2;9-20,33-34H,1-8,21-26H2
InChIKeyVDZUIQIUJINGRB-UHFFFAOYSA-N
MW1089.46 g/mol
LogP14.94
Rot. Bonds40

About 6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate

6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate (PubChem CID 91409634) has the molecular formula C70H88O10 and a molecular weight of 1089.46 g/mol. Its IUPAC name is 6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate.

Molecular Properties

Compound Name6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate
PubChem CID91409634
Molecular FormulaC70H88O10
Molecular Weight1089.46 g/mol
Exact Mass1088.64
IUPAC Name6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc(Cc2ccc(Cc3ccc(OCCCCCCOC(=O)C=C)cc3)cc2)cc1.OCCCCCCOc1ccc(Cc2ccc(Cc3ccc(OCCCCCCO)cc3)cc2)cc1
InChIInChI=1S/C38H46O6.C32H42O4/c1-3-37(39)43-27-11-7-5-9-25-41-35-21-17-33(18-22-35)29-31-13-15-32(16-14-31)30-34-19-23-36(24-20-34)42-26-10-6-8-12-28-44-38(40)4-2;33-21-5-1-3-7-23-35-31-17-13-29(14-18-31)25-27-9-11-28(12-10-27)26-30-15-19-32(20-16-30)36-24-8-4-2-6-22-34/h3-4,13-24H,1-2,5-12,25-30H2;9-20,33-34H,1-8,21-26H2
InChIKeyVDZUIQIUJINGRB-UHFFFAOYSA-N
XLogP14.94
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds40
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.46
LogP ≤ 514.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate with MolForge

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Related Compounds

6-[4-[2-[4-(6-hydroxyhexoxy)phenyl]ethynyl]phenoxy]hexyl prop-2-enoate
CID 20730901
6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate
CID 101498124
[4-[4-(8-hydroxyoctoxy)benzoyl]oxyphenyl] 4-(11-prop-2-enoyloxyundecoxy)benzoate
CID 58019589
12-(4-formylphenoxy)dodecyl prop-2-enoate
CID 174341299
4-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 18942550
10-hydroxydecyl prop-2-enoate
CID 14715958
11-hydroxyundecyl prop-2-enoate
CID 54223498
12-hydroxydodecyl prop-2-enoate
CID 19859974
19-hydroxynonadecyl prop-2-enoate
CID 20625688
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
6-(4-formylphenoxy)hexyl prop-2-enoate;methanol
CID 145059918
formaldehyde;2-[4-[[4-(prop-2-enoyloxymethyl)phenyl]methyl]phenoxy]ethyl prop-2-enoate
CID 162101397

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate?
The IUPAC name of 6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate (CID 91409634) is 6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate.
What is the SMILES notation for 6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate?
The canonical SMILES for 6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate is C=CC(=O)OCCCCCCOc1ccc(Cc2ccc(Cc3ccc(OCCCCCCOC(=O)C=C)cc3)cc2)cc1.OCCCCCCOc1ccc(Cc2ccc(Cc3ccc(OCCCCCCO)cc3)cc2)cc1.
What is the InChIKey of 6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate?
The InChIKey is VDZUIQIUJINGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46O6.C32H42O4/c1-3-37(39)43-27-11-7-5-9-25-41-35-21-17-33(18-22-35)29-31-13-15-32(16-14-31)30-34-19-23-36(24-20-34)42-26-10-6-8-12-28-44-38(40)4-2;33-21-5-1-3-7-23-35-31-17-13-29(14-18-31)25-27-9-11-28(12-10-27)26-30-15-19-32(20-16-30)36-24-8-4-2-6-22-34/h3-4,13-24H,1-2,5-12,25-30H2;9-20,33-34H,1-8,21-26H2.
What are the key properties of 6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate?
6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate has a molecular weight of 1089.46 g/mol, XLogP of 14.94, 40 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate is sourced from PubChem (CID 91409634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).