1-dodecyl-4-ethenoxybenzene

C20H32O — CID 174857999

IUPAC1-dodecyl-4-ethenoxybenzene
SMILESC=COc1ccc(CCCCCCCCCCCC)cc1
InChIInChI=1S/C20H32O/c1-3-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)21-4-2/h4,15-18H,2-3,5-14H2,1H3
InChIKeyFPLMSURUSYGHHI-UHFFFAOYSA-N
MW288.48 g/mol
LogP6.67
Rot. Bonds13

About 1-dodecyl-4-ethenoxybenzene

1-dodecyl-4-ethenoxybenzene (PubChem CID 174857999) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-dodecyl-4-ethenoxybenzene.

Molecular Properties

Compound Name1-dodecyl-4-ethenoxybenzene
PubChem CID174857999
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name1-dodecyl-4-ethenoxybenzene
SMILESC=COc1ccc(CCCCCCCCCCCC)cc1
InChIInChI=1S/C20H32O/c1-3-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)21-4-2/h4,15-18H,2-3,5-14H2,1H3
InChIKeyFPLMSURUSYGHHI-UHFFFAOYSA-N
XLogP6.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethenoxyperoxy-4-nonylbenzene
CID 154137705
1-ethenoxy-4-(6-methylheptyl)benzene
CID 67713493
CID 59959489
CID 59959489
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
ethanol;1-ethenoxyperoxy-4-octylbenzene
CID 159380677
sodium;hydride;(4-pentylphenyl) formate
CID 174654001
1-butyl-4-nonylbenzene
CID 59545302
1-but-3-enyl-4-hexylbenzene
CID 91077567
1-hexoxy-4-pentylbenzene
CID 54277450
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-decyl-4-hex-5-enylbenzene
CID 91529966
1-hexyl-4-prop-2-enylbenzene
CID 91099375

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-4-ethenoxybenzene?
The IUPAC name of 1-dodecyl-4-ethenoxybenzene (CID 174857999) is 1-dodecyl-4-ethenoxybenzene.
What is the SMILES notation for 1-dodecyl-4-ethenoxybenzene?
The canonical SMILES for 1-dodecyl-4-ethenoxybenzene is C=COc1ccc(CCCCCCCCCCCC)cc1.
What is the InChIKey of 1-dodecyl-4-ethenoxybenzene?
The InChIKey is FPLMSURUSYGHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-3-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)21-4-2/h4,15-18H,2-3,5-14H2,1H3.
What are the key properties of 1-dodecyl-4-ethenoxybenzene?
1-dodecyl-4-ethenoxybenzene has a molecular weight of 288.48 g/mol, XLogP of 6.67, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-4-ethenoxybenzene is sourced from PubChem (CID 174857999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).