1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane

C15H22O — CID 142879845

IUPAC1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane
SMILESC=CC(=C)COc1ccc(C)cc1.CCC
InChIInChI=1S/C12H14O.C3H8/c1-4-10(2)9-13-12-7-5-11(3)6-8-12;1-3-2/h4-8H,1-2,9H2,3H3;3H2,1-2H3
InChIKeyDAIBCACNJZXUFI-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.53
Rot. Bonds4

About 1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane

1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane (PubChem CID 142879845) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane.

Molecular Properties

Compound Name1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane
PubChem CID142879845
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane
SMILESC=CC(=C)COc1ccc(C)cc1.CCC
InChIInChI=1S/C12H14O.C3H8/c1-4-10(2)9-13-12-7-5-11(3)6-8-12;1-3-2/h4-8H,1-2,9H2,3H3;3H2,1-2H3
InChIKeyDAIBCACNJZXUFI-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane?
The IUPAC name of 1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane (CID 142879845) is 1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane.
What is the SMILES notation for 1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane?
The canonical SMILES for 1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane is C=CC(=C)COc1ccc(C)cc1.CCC.
What is the InChIKey of 1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane?
The InChIKey is DAIBCACNJZXUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.C3H8/c1-4-10(2)9-13-12-7-5-11(3)6-8-12;1-3-2/h4-8H,1-2,9H2,3H3;3H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane?
1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane has a molecular weight of 218.34 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane is sourced from PubChem (CID 142879845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).