3-undec-1-enoxypropoxybenzene

C20H32O2 — CID 154368140

IUPAC3-undec-1-enoxypropoxybenzene
SMILESCCCCCCCCCC=COCCCOc1ccccc1
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-13-17-21-18-14-19-22-20-15-11-10-12-16-20/h10-13,15-17H,2-9,14,18-19H2,1H3
InChIKeyXZRSDJAOKAKSOA-UHFFFAOYSA-N
MW304.47 g/mol
LogP6.13
Rot. Bonds14

About 3-undec-1-enoxypropoxybenzene

3-undec-1-enoxypropoxybenzene (PubChem CID 154368140) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 3-undec-1-enoxypropoxybenzene.

Molecular Properties

Compound Name3-undec-1-enoxypropoxybenzene
PubChem CID154368140
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name3-undec-1-enoxypropoxybenzene
SMILESCCCCCCCCCC=COCCCOc1ccccc1
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-13-17-21-18-14-19-22-20-15-11-10-12-16-20/h10-13,15-17H,2-9,14,18-19H2,1H3
InChIKeyXZRSDJAOKAKSOA-UHFFFAOYSA-N
XLogP6.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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CID 70492452
pentoxybenzene;undecane
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CID 174804981
ethene;nonoxybenzene;sulfane
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2-phenoxyethanol;tridec-2-enenitrile
CID 69342140
hexatriacontoxymethoxybenzene
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3-octadec-1-enoxypropan-1-ol
CID 552588
phenyl (Z)-5-butoxypent-4-enoate
CID 58460847
ethane-1,2-diol;ethanol;octoxybenzene
CID 175008384

Frequently Asked Questions

What is the IUPAC name of 3-undec-1-enoxypropoxybenzene?
The IUPAC name of 3-undec-1-enoxypropoxybenzene (CID 154368140) is 3-undec-1-enoxypropoxybenzene.
What is the SMILES notation for 3-undec-1-enoxypropoxybenzene?
The canonical SMILES for 3-undec-1-enoxypropoxybenzene is CCCCCCCCCC=COCCCOc1ccccc1.
What is the InChIKey of 3-undec-1-enoxypropoxybenzene?
The InChIKey is XZRSDJAOKAKSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-13-17-21-18-14-19-22-20-15-11-10-12-16-20/h10-13,15-17H,2-9,14,18-19H2,1H3.
What are the key properties of 3-undec-1-enoxypropoxybenzene?
3-undec-1-enoxypropoxybenzene has a molecular weight of 304.47 g/mol, XLogP of 6.13, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undec-1-enoxypropoxybenzene is sourced from PubChem (CID 154368140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).