2-methoxy-1-[(E)-1-methoxy-4-methylhex-3-enyl]-3-propan-2-ylbenzene

C18H28O2 — CID 122380229

IUPAC2-methoxy-1-[(E)-1-methoxy-4-methylhex-3-enyl]-3-propan-2-ylbenzene
SMILESCC/C(C)=C/CC(OC)c1cccc(C(C)C)c1OC
InChIInChI=1S/C18H28O2/c1-7-14(4)11-12-17(19-5)16-10-8-9-15(13(2)3)18(16)20-6/h8-11,13,17H,7,12H2,1-6H3/b14-11+
InChIKeyIWMVQHRPINICJB-SDNWHVSQSA-N
MW276.42 g/mol
LogP5.25
Rot. Bonds7

About 2-methoxy-1-[(E)-1-methoxy-4-methylhex-3-enyl]-3-propan-2-ylbenzene

2-methoxy-1-[(E)-1-methoxy-4-methylhex-3-enyl]-3-propan-2-ylbenzene (PubChem CID 122380229) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methoxy-1-[(E)-1-methoxy-4-methylhex-3-enyl]-3-propan-2-ylbenzene.

Molecular Properties

Compound Name2-methoxy-1-[(E)-1-methoxy-4-methylhex-3-enyl]-3-propan-2-ylbenzene
PubChem CID122380229
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2-methoxy-1-[(E)-1-methoxy-4-methylhex-3-enyl]-3-propan-2-ylbenzene
SMILESCC/C(C)=C/CC(OC)c1cccc(C(C)C)c1OC
InChIInChI=1S/C18H28O2/c1-7-14(4)11-12-17(19-5)16-10-8-9-15(13(2)3)18(16)20-6/h8-11,13,17H,7,12H2,1-6H3/b14-11+
InChIKeyIWMVQHRPINICJB-SDNWHVSQSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxy-1-[(E)-1-methoxy-4-methylhex-3-enyl]-3-propan-2-ylbenzene?
The IUPAC name of 2-methoxy-1-[(E)-1-methoxy-4-methylhex-3-enyl]-3-propan-2-ylbenzene (CID 122380229) is 2-methoxy-1-[(E)-1-methoxy-4-methylhex-3-enyl]-3-propan-2-ylbenzene.
What is the SMILES notation for 2-methoxy-1-[(E)-1-methoxy-4-methylhex-3-enyl]-3-propan-2-ylbenzene?
The canonical SMILES for 2-methoxy-1-[(E)-1-methoxy-4-methylhex-3-enyl]-3-propan-2-ylbenzene is CC/C(C)=C/CC(OC)c1cccc(C(C)C)c1OC.
What is the InChIKey of 2-methoxy-1-[(E)-1-methoxy-4-methylhex-3-enyl]-3-propan-2-ylbenzene?
The InChIKey is IWMVQHRPINICJB-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H28O2/c1-7-14(4)11-12-17(19-5)16-10-8-9-15(13(2)3)18(16)20-6/h8-11,13,17H,7,12H2,1-6H3/b14-11+.
What are the key properties of 2-methoxy-1-[(E)-1-methoxy-4-methylhex-3-enyl]-3-propan-2-ylbenzene?
2-methoxy-1-[(E)-1-methoxy-4-methylhex-3-enyl]-3-propan-2-ylbenzene has a molecular weight of 276.42 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(E)-1-methoxy-4-methylhex-3-enyl]-3-propan-2-ylbenzene is sourced from PubChem (CID 122380229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).