4-ethenyl-2-methyl-1-octan-2-yloxybenzene

C17H26O — CID 139784148

IUPAC4-ethenyl-2-methyl-1-octan-2-yloxybenzene
SMILESC=Cc1ccc(OC(C)CCCCCC)c(C)c1
InChIInChI=1S/C17H26O/c1-5-7-8-9-10-15(4)18-17-12-11-16(6-2)13-14(17)3/h6,11-13,15H,2,5,7-10H2,1,3-4H3
InChIKeyJIYVYKWIHNUMLU-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.38
Rot. Bonds8

About 4-ethenyl-2-methyl-1-octan-2-yloxybenzene

4-ethenyl-2-methyl-1-octan-2-yloxybenzene (PubChem CID 139784148) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 4-ethenyl-2-methyl-1-octan-2-yloxybenzene.

Molecular Properties

Compound Name4-ethenyl-2-methyl-1-octan-2-yloxybenzene
PubChem CID139784148
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name4-ethenyl-2-methyl-1-octan-2-yloxybenzene
SMILESC=Cc1ccc(OC(C)CCCCCC)c(C)c1
InChIInChI=1S/C17H26O/c1-5-7-8-9-10-15(4)18-17-12-11-16(6-2)13-14(17)3/h6,11-13,15H,2,5,7-10H2,1,3-4H3
InChIKeyJIYVYKWIHNUMLU-UHFFFAOYSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.38
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

4-ethenyl-1-heptan-2-yloxy-2-methylbenzene
CID 139784088
3-methyl-4-octan-2-yloxybenzaldehyde
CID 79117369
1-ethenyl-2-nonan-2-yloxybenzene
CID 142728019
1-ethenyl-2-heptan-2-yloxybenzene
CID 142728020
4,5-dimethyl-2-octan-2-yloxyaniline
CID 114281328
1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene
CID 70159395
2-[(2R)-heptan-2-yl]oxy-5-methylaniline
CID 40788230
4-[(2S)-octan-2-yl]oxybenzaldehyde
CID 29003502
3-iodo-4-octan-2-yloxyaniline
CID 66093590
3-methyl-4-pentan-2-yloxyaniline
CID 102980374
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
3-(dimethylamino)-4-[(2S)-octan-2-yl]oxyphenol
CID 20588794

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methyl-1-octan-2-yloxybenzene?
The IUPAC name of 4-ethenyl-2-methyl-1-octan-2-yloxybenzene (CID 139784148) is 4-ethenyl-2-methyl-1-octan-2-yloxybenzene.
What is the SMILES notation for 4-ethenyl-2-methyl-1-octan-2-yloxybenzene?
The canonical SMILES for 4-ethenyl-2-methyl-1-octan-2-yloxybenzene is C=Cc1ccc(OC(C)CCCCCC)c(C)c1.
What is the InChIKey of 4-ethenyl-2-methyl-1-octan-2-yloxybenzene?
The InChIKey is JIYVYKWIHNUMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-5-7-8-9-10-15(4)18-17-12-11-16(6-2)13-14(17)3/h6,11-13,15H,2,5,7-10H2,1,3-4H3.
What are the key properties of 4-ethenyl-2-methyl-1-octan-2-yloxybenzene?
4-ethenyl-2-methyl-1-octan-2-yloxybenzene has a molecular weight of 246.39 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methyl-1-octan-2-yloxybenzene is sourced from PubChem (CID 139784148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).