1-methyl-4-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene

C19H26 — CID 145385703

IUPAC1-methyl-4-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene
SMILESC=C(C)C(=C)Cc1cc(CCC)c(C)cc1C(=C)C
InChIInChI=1S/C19H26/c1-8-9-17-12-18(10-15(6)13(2)3)19(14(4)5)11-16(17)7/h11-12H,2,4,6,8-10H2,1,3,5,7H3
InChIKeyGKLYADZCPIRPJJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP5.66
Rot. Bonds6

About 1-methyl-4-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene

1-methyl-4-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene (PubChem CID 145385703) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-methyl-4-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene.

Molecular Properties

Compound Name1-methyl-4-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene
PubChem CID145385703
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name1-methyl-4-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene
SMILESC=C(C)C(=C)Cc1cc(CCC)c(C)cc1C(=C)C
InChIInChI=1S/C19H26/c1-8-9-17-12-18(10-15(6)13(2)3)19(14(4)5)11-16(17)7/h11-12H,2,4,6,8-10H2,1,3,5,7H3
InChIKeyGKLYADZCPIRPJJ-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene?
The IUPAC name of 1-methyl-4-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene (CID 145385703) is 1-methyl-4-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene.
What is the SMILES notation for 1-methyl-4-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene?
The canonical SMILES for 1-methyl-4-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene is C=C(C)C(=C)Cc1cc(CCC)c(C)cc1C(=C)C.
What is the InChIKey of 1-methyl-4-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene?
The InChIKey is GKLYADZCPIRPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26/c1-8-9-17-12-18(10-15(6)13(2)3)19(14(4)5)11-16(17)7/h11-12H,2,4,6,8-10H2,1,3,5,7H3.
What are the key properties of 1-methyl-4-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene?
1-methyl-4-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene has a molecular weight of 254.42 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methyl-2-methylidenebut-3-enyl)-5-prop-1-en-2-yl-2-propylbenzene is sourced from PubChem (CID 145385703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).