1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene

C15H22O — CID 139784147

IUPAC1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene
SMILESC=Cc1cccc(C)c1COC(C)CCC
InChIInChI=1S/C15H22O/c1-5-8-13(4)16-11-15-12(3)9-7-10-14(15)6-2/h6-7,9-10,13H,2,5,8,11H2,1,3-4H3
InChIKeyGDDSOLARVITBMQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.34
Rot. Bonds6

About 1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene

1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene (PubChem CID 139784147) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene
PubChem CID139784147
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene
SMILESC=Cc1cccc(C)c1COC(C)CCC
InChIInChI=1S/C15H22O/c1-5-8-13(4)16-11-15-12(3)9-7-10-14(15)6-2/h6-7,9-10,13H,2,5,8,11H2,1,3-4H3
InChIKeyGDDSOLARVITBMQ-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Styrene Oxide
CID 7276
(S)-styrene oxide
CID 114946
1-Phenylethyl Acetate
CID 62341
Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
O-Methylbenzyl acetate
CID 87085
Benzyl methyl ether
CID 10869
(+)-Styrene oxide
CID 114705
Benzyl octyl ether
CID 347508
1-Phenylpropyl acetate
CID 101134
Benzenemethanol, 2,4-dimethyl-, 1-acetate
CID 94602
Allyl benzyl ether
CID 84542

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene?
The IUPAC name of 1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene (CID 139784147) is 1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene.
What is the SMILES notation for 1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene?
The canonical SMILES for 1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene is C=Cc1cccc(C)c1COC(C)CCC.
What is the InChIKey of 1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene?
The InChIKey is GDDSOLARVITBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-5-8-13(4)16-11-15-12(3)9-7-10-14(15)6-2/h6-7,9-10,13H,2,5,8,11H2,1,3-4H3.
What are the key properties of 1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene?
1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene has a molecular weight of 218.34 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methyl-2-(pentan-2-yloxymethyl)benzene is sourced from PubChem (CID 139784147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).