11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol

C32H52O4 — CID 86182037

IUPAC11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
SMILESOCCCCCCCCCCCOc1ccc2cc(OCCCCCCCCCCCO)ccc2c1
InChIInChI=1S/C32H52O4/c33-23-15-11-7-3-1-5-9-13-17-25-35-31-21-19-30-28-32(22-20-29(30)27-31)36-26-18-14-10-6-2-4-8-12-16-24-34/h19-22,27-28,33-34H,1-18,23-26H2
InChIKeyAOSMIHUNBISTOG-UHFFFAOYSA-N
MW500.76 g/mol
LogP8.60
Rot. Bonds24

About 11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol

11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol (PubChem CID 86182037) has the molecular formula C32H52O4 and a molecular weight of 500.76 g/mol. Its IUPAC name is 11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol.

Molecular Properties

Compound Name11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
PubChem CID86182037
Molecular FormulaC32H52O4
Molecular Weight500.76 g/mol
Exact Mass500.39
IUPAC Name11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
SMILESOCCCCCCCCCCCOc1ccc2cc(OCCCCCCCCCCCO)ccc2c1
InChIInChI=1S/C32H52O4/c33-23-15-11-7-3-1-5-9-13-17-25-35-31-21-19-30-28-32(22-20-29(30)27-31)36-26-18-14-10-6-2-4-8-12-16-24-34/h19-22,27-28,33-34H,1-18,23-26H2
InChIKeyAOSMIHUNBISTOG-UHFFFAOYSA-N
XLogP8.60
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.76
LogP ≤ 58.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
CID 138483629
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol
CID 126699424
7-(5-hydroxypentoxy)naphthalen-2-ol
CID 62229734
3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol
CID 118363614
8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol
CID 142809566
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
6-quinolin-7-yloxyhexan-1-ol
CID 107705479
6-[6-(6-bromonaphthalen-2-yl)oxyhexylsulfonyl]hexan-1-ol
CID 70163219
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756
azane;8-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyloxy)octan-1-ol
CID 175067623

Frequently Asked Questions

What is the IUPAC name of 11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol?
The IUPAC name of 11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol (CID 86182037) is 11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol.
What is the SMILES notation for 11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol?
The canonical SMILES for 11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol is OCCCCCCCCCCCOc1ccc2cc(OCCCCCCCCCCCO)ccc2c1.
What is the InChIKey of 11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol?
The InChIKey is AOSMIHUNBISTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52O4/c33-23-15-11-7-3-1-5-9-13-17-25-35-31-21-19-30-28-32(22-20-29(30)27-31)36-26-18-14-10-6-2-4-8-12-16-24-34/h19-22,27-28,33-34H,1-18,23-26H2.
What are the key properties of 11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol?
11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol has a molecular weight of 500.76 g/mol, XLogP of 8.60, 24 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol is sourced from PubChem (CID 86182037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).