11,11,11-trimethoxyundec-1-enylbenzene

C20H32O3 — CID 151728139

IUPAC11,11,11-trimethoxyundec-1-enylbenzene
SMILESCOC(CCCCCCCCC=Cc1ccccc1)(OC)OC
InChIInChI=1S/C20H32O3/c1-21-20(22-2,23-3)18-14-9-7-5-4-6-8-11-15-19-16-12-10-13-17-19/h10-13,15-17H,4-9,14,18H2,1-3H3
InChIKeyRJZWYQFSMOYRFB-UHFFFAOYSA-N
MW320.47 g/mol
LogP5.41
Rot. Bonds13

About 11,11,11-trimethoxyundec-1-enylbenzene

11,11,11-trimethoxyundec-1-enylbenzene (PubChem CID 151728139) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 11,11,11-trimethoxyundec-1-enylbenzene.

Molecular Properties

Compound Name11,11,11-trimethoxyundec-1-enylbenzene
PubChem CID151728139
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name11,11,11-trimethoxyundec-1-enylbenzene
SMILESCOC(CCCCCCCCC=Cc1ccccc1)(OC)OC
InChIInChI=1S/C20H32O3/c1-21-20(22-2,23-3)18-14-9-7-5-4-6-8-11-15-19-16-12-10-13-17-19/h10-13,15-17H,4-9,14,18H2,1-3H3
InChIKeyRJZWYQFSMOYRFB-UHFFFAOYSA-N
XLogP5.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(E)-octadec-1-enyl]benzene
CID 22722345
6-phenylhex-5-enoxysilane
CID 123359434
(E)-9-phenylnon-8-en-1-ol
CID 10489025
trimethoxy(5-phenylpent-4-enyl)silane
CID 57062369
[(E)-6-bromohex-1-enyl]benzene
CID 11172477
5-ethoxypent-1-enylbenzene
CID 54285670
ethyl (E)-8-phenyloct-7-enoate
CID 139263664
oct-1-enylbenzene;phosphoric acid
CID 159316508
[(E)-5-iodopent-1-enyl]benzene
CID 87330563
[(E)-5-bromopent-1-enyl]benzene
CID 10977131
1,1,1,23,23,23-hexamethoxytricosane
CID 150492552
ethane;[(1E,5Z)-hepta-1,5-dienyl]benzene;methoxymethane
CID 143006426

Frequently Asked Questions

What is the IUPAC name of 11,11,11-trimethoxyundec-1-enylbenzene?
The IUPAC name of 11,11,11-trimethoxyundec-1-enylbenzene (CID 151728139) is 11,11,11-trimethoxyundec-1-enylbenzene.
What is the SMILES notation for 11,11,11-trimethoxyundec-1-enylbenzene?
The canonical SMILES for 11,11,11-trimethoxyundec-1-enylbenzene is COC(CCCCCCCCC=Cc1ccccc1)(OC)OC.
What is the InChIKey of 11,11,11-trimethoxyundec-1-enylbenzene?
The InChIKey is RJZWYQFSMOYRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3/c1-21-20(22-2,23-3)18-14-9-7-5-4-6-8-11-15-19-16-12-10-13-17-19/h10-13,15-17H,4-9,14,18H2,1-3H3.
What are the key properties of 11,11,11-trimethoxyundec-1-enylbenzene?
11,11,11-trimethoxyundec-1-enylbenzene has a molecular weight of 320.47 g/mol, XLogP of 5.41, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11,11-trimethoxyundec-1-enylbenzene is sourced from PubChem (CID 151728139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).