4-ethenyl-1-heptan-2-yloxy-2-methylbenzene

C16H24O — CID 139784088

IUPAC4-ethenyl-1-heptan-2-yloxy-2-methylbenzene
SMILESC=Cc1ccc(OC(C)CCCCC)c(C)c1
InChIInChI=1S/C16H24O/c1-5-7-8-9-14(4)17-16-11-10-15(6-2)12-13(16)3/h6,10-12,14H,2,5,7-9H2,1,3-4H3
InChIKeyBGIOHZIBAGUFAB-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.99
Rot. Bonds7

About 4-ethenyl-1-heptan-2-yloxy-2-methylbenzene

4-ethenyl-1-heptan-2-yloxy-2-methylbenzene (PubChem CID 139784088) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-ethenyl-1-heptan-2-yloxy-2-methylbenzene.

Molecular Properties

Compound Name4-ethenyl-1-heptan-2-yloxy-2-methylbenzene
PubChem CID139784088
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4-ethenyl-1-heptan-2-yloxy-2-methylbenzene
SMILESC=Cc1ccc(OC(C)CCCCC)c(C)c1
InChIInChI=1S/C16H24O/c1-5-7-8-9-14(4)17-16-11-10-15(6-2)12-13(16)3/h6,10-12,14H,2,5,7-9H2,1,3-4H3
InChIKeyBGIOHZIBAGUFAB-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.99
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-2-methyl-1-octan-2-yloxybenzene
CID 139784148
3-methyl-4-octan-2-yloxybenzaldehyde
CID 79117369
1-ethenyl-2-heptan-2-yloxybenzene
CID 142728020
1-ethenyl-2-nonan-2-yloxybenzene
CID 142728019
1-ethenyl-4-[4-[(2R)-hexan-2-yl]oxyphenyl]benzene
CID 70159395
2-[(2R)-heptan-2-yl]oxy-5-methylaniline
CID 40788230
4,5-dimethyl-2-octan-2-yloxyaniline
CID 114281328
3-methyl-4-pentan-2-yloxyaniline
CID 102980374
4-[(2S)-octan-2-yl]oxybenzaldehyde
CID 29003502
3-iodo-4-octan-2-yloxyaniline
CID 66093590
1-fluoro-2-[(2R)-heptan-2-yl]oxybenzene
CID 14766294
4-(4-bromo-2-methylphenoxy)pentan-1-amine
CID 63217030

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-heptan-2-yloxy-2-methylbenzene?
The IUPAC name of 4-ethenyl-1-heptan-2-yloxy-2-methylbenzene (CID 139784088) is 4-ethenyl-1-heptan-2-yloxy-2-methylbenzene.
What is the SMILES notation for 4-ethenyl-1-heptan-2-yloxy-2-methylbenzene?
The canonical SMILES for 4-ethenyl-1-heptan-2-yloxy-2-methylbenzene is C=Cc1ccc(OC(C)CCCCC)c(C)c1.
What is the InChIKey of 4-ethenyl-1-heptan-2-yloxy-2-methylbenzene?
The InChIKey is BGIOHZIBAGUFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-5-7-8-9-14(4)17-16-11-10-15(6-2)12-13(16)3/h6,10-12,14H,2,5,7-9H2,1,3-4H3.
What are the key properties of 4-ethenyl-1-heptan-2-yloxy-2-methylbenzene?
4-ethenyl-1-heptan-2-yloxy-2-methylbenzene has a molecular weight of 232.37 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-heptan-2-yloxy-2-methylbenzene is sourced from PubChem (CID 139784088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).