11-[(3-dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol

C33H56O3 — CID 167506354

IUPAC11-[(3-dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol
SMILESCCCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCCCO)=CCCC=2
InChIInChI=1S/C33H56O3/c1-2-3-4-5-6-7-10-13-16-21-26-35-32-28-30-23-18-19-24-31(30)29-33(32)36-27-22-17-14-11-8-9-12-15-20-25-34/h23-24,28-29,34H,2-22,25-27H2,1H3
InChIKeyQRILPYFOKOVBNG-UHFFFAOYSA-N
MW500.81 g/mol
LogP8.22
Rot. Bonds24

About 11-[(3-dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol

11-[(3-dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol (PubChem CID 167506354) has the molecular formula C33H56O3 and a molecular weight of 500.81 g/mol. Its IUPAC name is 11-[(3-dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol.

Molecular Properties

Compound Name11-[(3-dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol
PubChem CID167506354
Molecular FormulaC33H56O3
Molecular Weight500.81 g/mol
Exact Mass500.42
IUPAC Name11-[(3-dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol
SMILESCCCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCCCO)=CCCC=2
InChIInChI=1S/C33H56O3/c1-2-3-4-5-6-7-10-13-16-21-26-35-32-28-30-23-18-19-24-31(30)29-33(32)36-27-22-17-14-11-8-9-12-15-20-25-34/h23-24,28-29,34H,2-22,25-27H2,1H3
InChIKeyQRILPYFOKOVBNG-UHFFFAOYSA-N
XLogP8.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.81
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-fluoro-3,4,5,6-tetrahydro-2H-chromen-2-yl)ethanol
CID 124005720
11-(5-bromo-8-ethoxy-7H-chromen-2-yl)undecan-1-ol
CID 123633126
[(2R)-3,4,5,6-tetrahydro-2H-chromen-2-yl]methanol
CID 134311525
(2R,3S)-3-cyclohexa-1,3-dien-1-yl-3-[(6S)-6-methylcyclohexa-1,3,4-trien-1-yl]oxypropane-1,2-diol
CID 141776110
methane;(1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium)
CID 157161955
(1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1S)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;tetrakis(yttrium)
CID 159164751
(1S)-1-[(2R)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;(1R)-1-[(2S)-2,3,4,6-tetrahydrochromen-6-id-2-yl]propan-1-ol;bis(yttrium)
CID 160745831
8-Methoxyspiro[1,2,9,10-tetrahydrobenzo[c]chromene-6,3'-oxetane]-3-ol
CID 170746181
8,9,18,19-Tetrakis-decoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene
CID 10485827
8,9,18,19-Tetraoctoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene
CID 15528901
(E)-3-[2-(2,3-dihydro-1,4-dioxin-5-yl)cyclohexen-1-yl]prop-2-en-1-ol
CID 17755185
8,9,18,19-Tetradodecoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene
CID 100933949

Frequently Asked Questions

What is the IUPAC name of 11-[(3-dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol?
The IUPAC name of 11-[(3-dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol (CID 167506354) is 11-[(3-dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol.
What is the SMILES notation for 11-[(3-dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol?
The canonical SMILES for 11-[(3-dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol is CCCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCCCO)=CCCC=2.
What is the InChIKey of 11-[(3-dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol?
The InChIKey is QRILPYFOKOVBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56O3/c1-2-3-4-5-6-7-10-13-16-21-26-35-32-28-30-23-18-19-24-31(30)29-33(32)36-27-22-17-14-11-8-9-12-15-20-25-34/h23-24,28-29,34H,2-22,25-27H2,1H3.
What are the key properties of 11-[(3-dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol?
11-[(3-dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol has a molecular weight of 500.81 g/mol, XLogP of 8.22, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(3-dodecoxy-6,7-dihydronaphthalen-2-yl)oxy]undecan-1-ol is sourced from PubChem (CID 167506354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).