2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene

C18H28O — CID 134985935

IUPAC2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene
SMILESCC(C)/C=C/COc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C18H28O/c1-13(2)9-8-12-19-18-16(14(3)4)10-7-11-17(18)15(5)6/h7-11,13-15H,12H2,1-6H3/b9-8+
InChIKeyNXCJBACLHKDQOJ-CMDGGOBGSA-N
MW260.42 g/mol
LogP5.52
Rot. Bonds6

About 2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene

2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene (PubChem CID 134985935) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene
PubChem CID134985935
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene
SMILESCC(C)/C=C/COc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C18H28O/c1-13(2)9-8-12-19-18-16(14(3)4)10-7-11-17(18)15(5)6/h7-11,13-15H,12H2,1-6H3/b9-8+
InChIKeyNXCJBACLHKDQOJ-CMDGGOBGSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene?
The IUPAC name of 2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene (CID 134985935) is 2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene.
What is the SMILES notation for 2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene?
The canonical SMILES for 2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene is CC(C)/C=C/COc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene?
The InChIKey is NXCJBACLHKDQOJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H28O/c1-13(2)9-8-12-19-18-16(14(3)4)10-7-11-17(18)15(5)6/h7-11,13-15H,12H2,1-6H3/b9-8+.
What are the key properties of 2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene?
2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene has a molecular weight of 260.42 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-methylpent-2-enoxy]-1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 134985935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).