1-ethenyl-2-methyl-4-pentan-2-yloxybenzene

C14H20O — CID 139784110

IUPAC1-ethenyl-2-methyl-4-pentan-2-yloxybenzene
SMILESC=Cc1ccc(OC(C)CCC)cc1C
InChIInChI=1S/C14H20O/c1-5-7-12(4)15-14-9-8-13(6-2)11(3)10-14/h6,8-10,12H,2,5,7H2,1,3-4H3
InChIKeyOKMHHJQMPYVVQE-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.21
Rot. Bonds5

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

1-ethenyl-2-methyl-4-pentan-2-yloxybenzene (PubChem CID 139784110) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-ethenyl-2-methyl-4-pentan-2-yloxybenzene.

Molecular Properties

Compound Name1-ethenyl-2-methyl-4-pentan-2-yloxybenzene
PubChem CID139784110
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-ethenyl-2-methyl-4-pentan-2-yloxybenzene
SMILESC=Cc1ccc(OC(C)CCC)cc1C
InChIInChI=1S/C14H20O/c1-5-7-12(4)15-14-9-8-13(6-2)11(3)10-14/h6,8-10,12H,2,5,7H2,1,3-4H3
InChIKeyOKMHHJQMPYVVQE-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-pentan-2-yloxyaniline
CID 102980398
(4-ethenyl-3-methylphenoxy)-tri(propan-2-yl)silane
CID 46783290
3-(2-methyl-4-pentan-2-yloxyphenyl)prop-2-yn-1-amine
CID 107885433
N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine
CID 63505904
1-(4-chlorobut-1-ynyl)-2-methyl-4-pentan-2-yloxybenzene
CID 114012779
1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine
CID 107891171
(1S)-1-(3-pentan-2-yloxyphenyl)ethanol
CID 107892276
1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene
CID 139784147
1-(2-chloro-4-pentan-2-yloxyphenyl)ethanamine
CID 102982374
(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine
CID 107891175
1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine
CID 82553641
N,N-dimethyl-4-pentan-2-yloxyaniline
CID 143580659

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methyl-4-pentan-2-yloxybenzene?
The IUPAC name of 1-ethenyl-2-methyl-4-pentan-2-yloxybenzene (CID 139784110) is 1-ethenyl-2-methyl-4-pentan-2-yloxybenzene.
What is the SMILES notation for 1-ethenyl-2-methyl-4-pentan-2-yloxybenzene?
The canonical SMILES for 1-ethenyl-2-methyl-4-pentan-2-yloxybenzene is C=Cc1ccc(OC(C)CCC)cc1C.
What is the InChIKey of 1-ethenyl-2-methyl-4-pentan-2-yloxybenzene?
The InChIKey is OKMHHJQMPYVVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-5-7-12(4)15-14-9-8-13(6-2)11(3)10-14/h6,8-10,12H,2,5,7H2,1,3-4H3.
What are the key properties of 1-ethenyl-2-methyl-4-pentan-2-yloxybenzene?
1-ethenyl-2-methyl-4-pentan-2-yloxybenzene has a molecular weight of 204.31 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methyl-4-pentan-2-yloxybenzene is sourced from PubChem (CID 139784110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).