1-ethenyl-2-nonan-2-yloxybenzene

C17H26O — CID 142728019

IUPAC1-ethenyl-2-nonan-2-yloxybenzene
SMILESC=Cc1ccccc1OC(C)CCCCCCC
InChIInChI=1S/C17H26O/c1-4-6-7-8-9-12-15(3)18-17-14-11-10-13-16(17)5-2/h5,10-11,13-15H,2,4,6-9,12H2,1,3H3
InChIKeyCQGYHVGUFOAVJT-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.46
Rot. Bonds9

About 1-ethenyl-2-nonan-2-yloxybenzene

1-ethenyl-2-nonan-2-yloxybenzene (PubChem CID 142728019) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-ethenyl-2-nonan-2-yloxybenzene.

Molecular Properties

Compound Name1-ethenyl-2-nonan-2-yloxybenzene
PubChem CID142728019
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-ethenyl-2-nonan-2-yloxybenzene
SMILESC=Cc1ccccc1OC(C)CCCCCCC
InChIInChI=1S/C17H26O/c1-4-6-7-8-9-12-15(3)18-17-14-11-10-13-16(17)5-2/h5,10-11,13-15H,2,4,6-9,12H2,1,3H3
InChIKeyCQGYHVGUFOAVJT-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.46
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-2-heptan-2-yloxybenzene
CID 142728020
2-[(2S)-octan-2-yl]oxybenzaldehyde
CID 36690507
1-ethenyl-2-heptadecoxybenzene
CID 139672731
1-heptadecan-2-yloxy-2-prop-1-en-2-ylbenzene
CID 142728021
1-fluoro-2-[(2R)-heptan-2-yl]oxybenzene
CID 14766294
1-(difluoromethyl)-2-undecan-2-yloxybenzene
CID 150271588
(1R)-1-(2-octan-2-yloxyphenyl)ethanamine
CID 78937923
1-[(2S)-octan-2-yl]oxy-2-phenylbenzene
CID 122219918
1-(trifluoromethyl)-2-undecan-2-yloxybenzene
CID 150002093
1-nonan-2-yloxy-2-(trifluoromethyl)benzene
CID 130445178
bis(2-octan-2-yloxyphenyl) benzene-1,2-dicarboxylate
CID 175055883
4-ethenyl-2-methyl-1-octan-2-yloxybenzene
CID 139784148

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-nonan-2-yloxybenzene?
The IUPAC name of 1-ethenyl-2-nonan-2-yloxybenzene (CID 142728019) is 1-ethenyl-2-nonan-2-yloxybenzene.
What is the SMILES notation for 1-ethenyl-2-nonan-2-yloxybenzene?
The canonical SMILES for 1-ethenyl-2-nonan-2-yloxybenzene is C=Cc1ccccc1OC(C)CCCCCCC.
What is the InChIKey of 1-ethenyl-2-nonan-2-yloxybenzene?
The InChIKey is CQGYHVGUFOAVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-4-6-7-8-9-12-15(3)18-17-14-11-10-13-16(17)5-2/h5,10-11,13-15H,2,4,6-9,12H2,1,3H3.
What are the key properties of 1-ethenyl-2-nonan-2-yloxybenzene?
1-ethenyl-2-nonan-2-yloxybenzene has a molecular weight of 246.39 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-nonan-2-yloxybenzene is sourced from PubChem (CID 142728019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).