1-ethenyl-4-(pentoxymethyl)benzene

C14H20O — CID 12541564

IUPAC1-ethenyl-4-(pentoxymethyl)benzene
SMILESC=Cc1ccc(COCCCCC)cc1
InChIInChI=1S/C14H20O/c1-3-5-6-11-15-12-14-9-7-13(4-2)8-10-14/h4,7-10H,2-3,5-6,11-12H2,1H3
InChIKeyFEPPISKTMJRDOC-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.04
Rot. Bonds7

About 1-ethenyl-4-(pentoxymethyl)benzene

1-ethenyl-4-(pentoxymethyl)benzene (PubChem CID 12541564) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-ethenyl-4-(pentoxymethyl)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(pentoxymethyl)benzene
PubChem CID12541564
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-ethenyl-4-(pentoxymethyl)benzene
SMILESC=Cc1ccc(COCCCCC)cc1
InChIInChI=1S/C14H20O/c1-3-5-6-11-15-12-14-9-7-13(4-2)8-10-14/h4,7-10H,2-3,5-6,11-12H2,1H3
InChIKeyFEPPISKTMJRDOC-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-(2-octoxyethoxymethyl)benzene
CID 156621378
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine
CID 176835378
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene
CID 157248337
3-[(4-ethenylphenyl)methoxy]propan-1-amine
CID 164938330
4-[(4-ethenylphenyl)methoxy]butyl-dimethoxysilane
CID 173322451
dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane
CID 54364407
1-pentoxypentane;styrene
CID 174531543
1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene
CID 67776293
1-ethenoxypentane;1-ethenyl-4-ethylbenzene
CID 54369446
1-methyl-4-(octoxymethyl)benzene
CID 86156710

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(pentoxymethyl)benzene?
The IUPAC name of 1-ethenyl-4-(pentoxymethyl)benzene (CID 12541564) is 1-ethenyl-4-(pentoxymethyl)benzene.
What is the SMILES notation for 1-ethenyl-4-(pentoxymethyl)benzene?
The canonical SMILES for 1-ethenyl-4-(pentoxymethyl)benzene is C=Cc1ccc(COCCCCC)cc1.
What is the InChIKey of 1-ethenyl-4-(pentoxymethyl)benzene?
The InChIKey is FEPPISKTMJRDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-5-6-11-15-12-14-9-7-13(4-2)8-10-14/h4,7-10H,2-3,5-6,11-12H2,1H3.
What are the key properties of 1-ethenyl-4-(pentoxymethyl)benzene?
1-ethenyl-4-(pentoxymethyl)benzene has a molecular weight of 204.31 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(pentoxymethyl)benzene is sourced from PubChem (CID 12541564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).