undec-4-enoxymethylbenzene

C18H28O — CID 158781580

IUPACundec-4-enoxymethylbenzene
SMILESCCCCCCC=CCCCOCc1ccccc1
InChIInChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-13-16-19-17-18-14-11-10-12-15-18/h7-8,10-12,14-15H,2-6,9,13,16-17H2,1H3
InChIKeySMULRXNUENVJOV-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.51
Rot. Bonds11

About undec-4-enoxymethylbenzene

undec-4-enoxymethylbenzene (PubChem CID 158781580) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is undec-4-enoxymethylbenzene.

Molecular Properties

Compound Nameundec-4-enoxymethylbenzene
PubChem CID158781580
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Nameundec-4-enoxymethylbenzene
SMILESCCCCCCC=CCCCOCc1ccccc1
InChIInChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-13-16-19-17-18-14-11-10-12-15-18/h7-8,10-12,14-15H,2-6,9,13,16-17H2,1H3
InChIKeySMULRXNUENVJOV-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 58900689
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azane;hexoxymethylbenzene
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formaldehyde;octoxymethylbenzene;tungsten
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2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
butoxymethylbenzene;ethane
CID 145341806
lithium;butoxymethylbenzene;hydride
CID 175482454
[(3Z,6Z)-3,7-dideuteriododeca-3,6-dienoxy]methylbenzene
CID 11601516

Frequently Asked Questions

What is the IUPAC name of undec-4-enoxymethylbenzene?
The IUPAC name of undec-4-enoxymethylbenzene (CID 158781580) is undec-4-enoxymethylbenzene.
What is the SMILES notation for undec-4-enoxymethylbenzene?
The canonical SMILES for undec-4-enoxymethylbenzene is CCCCCCC=CCCCOCc1ccccc1.
What is the InChIKey of undec-4-enoxymethylbenzene?
The InChIKey is SMULRXNUENVJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-13-16-19-17-18-14-11-10-12-15-18/h7-8,10-12,14-15H,2-6,9,13,16-17H2,1H3.
What are the key properties of undec-4-enoxymethylbenzene?
undec-4-enoxymethylbenzene has a molecular weight of 260.42 g/mol, XLogP of 5.51, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undec-4-enoxymethylbenzene is sourced from PubChem (CID 158781580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).