1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene

C14H18O — CID 101178102

IUPAC1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene
SMILESC=CCc1cccc(C)c1OCC(=C)C
InChIInChI=1S/C14H18O/c1-5-7-13-9-6-8-12(4)14(13)15-10-11(2)3/h5-6,8-9H,1-2,7,10H2,3-4H3
InChIKeyJDNYBYIWYVAZFY-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.68
Rot. Bonds5

About 1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene

1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene (PubChem CID 101178102) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene.

Molecular Properties

Compound Name1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene
PubChem CID101178102
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene
SMILESC=CCc1cccc(C)c1OCC(=C)C
InChIInChI=1S/C14H18O/c1-5-7-13-9-6-8-12(4)14(13)15-10-11(2)3/h5-6,8-9H,1-2,7,10H2,3-4H3
InChIKeyJDNYBYIWYVAZFY-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzaldehyde
CID 54849707
N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 112608358
2-methoxy-1-methyl-3-prop-2-enylbenzene;propane
CID 143927425
trimethyl-(2-methyl-6-prop-2-enylphenoxy)silane
CID 19737589
1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 82077181
25,27-bis(2-methylprop-2-enoxy)-26,28-bis(prop-2-enoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 67135026
[3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112607493
1,2-dimethyl-3-prop-2-enylbenzene;hydrochloride
CID 175387525
[2-(2-methylphenoxy)-6-prop-2-enylphenyl] acetate
CID 13066658
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033
1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
1-methyl-4-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]piperazine;oxalic acid
CID 16614206

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene?
The IUPAC name of 1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene (CID 101178102) is 1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene.
What is the SMILES notation for 1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene?
The canonical SMILES for 1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene is C=CCc1cccc(C)c1OCC(=C)C.
What is the InChIKey of 1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene?
The InChIKey is JDNYBYIWYVAZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-5-7-13-9-6-8-12(4)14(13)15-10-11(2)3/h5-6,8-9H,1-2,7,10H2,3-4H3.
What are the key properties of 1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene?
1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene has a molecular weight of 202.30 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylprop-2-enoxy)-3-prop-2-enylbenzene is sourced from PubChem (CID 101178102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).