1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene

C19H30 — CID 143774858

IUPAC1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene
SMILESC.C=C(C)CC.C=CC(=C)Cc1ccc(CC)cc1
InChIInChI=1S/C13H16.C5H10.CH4/c1-4-11(3)10-13-8-6-12(5-2)7-9-13;1-4-5(2)3;/h4,6-9H,1,3,5,10H2,2H3;2,4H2,1,3H3;1H4
InChIKeyANXGLSVFDVHNRE-UHFFFAOYSA-N
MW258.45 g/mol
LogP6.14
Rot. Bonds5

About 1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene

1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene (PubChem CID 143774858) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene.

Molecular Properties

Compound Name1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene
PubChem CID143774858
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene
SMILESC.C=C(C)CC.C=CC(=C)Cc1ccc(CC)cc1
InChIInChI=1S/C13H16.C5H10.CH4/c1-4-11(3)10-13-8-6-12(5-2)7-9-13;1-4-5(2)3;/h4,6-9H,1,3,5,10H2,2H3;2,4H2,1,3H3;1H4
InChIKeyANXGLSVFDVHNRE-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene?
The IUPAC name of 1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene (CID 143774858) is 1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene.
What is the SMILES notation for 1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene?
The canonical SMILES for 1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene is C.C=C(C)CC.C=CC(=C)Cc1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene?
The InChIKey is ANXGLSVFDVHNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16.C5H10.CH4/c1-4-11(3)10-13-8-6-12(5-2)7-9-13;1-4-5(2)3;/h4,6-9H,1,3,5,10H2,2H3;2,4H2,1,3H3;1H4.
What are the key properties of 1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene?
1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene has a molecular weight of 258.45 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methylidenebut-3-enyl)benzene;methane;2-methylbut-1-ene is sourced from PubChem (CID 143774858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).