1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene

C17H24O2 — CID 71582227

IUPAC1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene
SMILESCOc1cccc(OCC2=C(C)CCCC2(C)C)c1
InChIInChI=1S/C17H24O2/c1-13-7-6-10-17(2,3)16(13)12-19-15-9-5-8-14(11-15)18-4/h5,8-9,11H,6-7,10,12H2,1-4H3
InChIKeyOTIDKYYDWFBPPQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.60
Rot. Bonds4

About 1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene

1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene (PubChem CID 71582227) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene.

Molecular Properties

Compound Name1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene
PubChem CID71582227
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene
SMILESCOc1cccc(OCC2=C(C)CCCC2(C)C)c1
InChIInChI=1S/C17H24O2/c1-13-7-6-10-17(2,3)16(13)12-19-15-9-5-8-14(11-15)18-4/h5,8-9,11H,6-7,10,12H2,1-4H3
InChIKeyOTIDKYYDWFBPPQ-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.60
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 1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene?
The IUPAC name of 1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene (CID 71582227) is 1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene.
What is the SMILES notation for 1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene?
The canonical SMILES for 1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene is COc1cccc(OCC2=C(C)CCCC2(C)C)c1.
What is the InChIKey of 1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene?
The InChIKey is OTIDKYYDWFBPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-13-7-6-10-17(2,3)16(13)12-19-15-9-5-8-14(11-15)18-4/h5,8-9,11H,6-7,10,12H2,1-4H3.
What are the key properties of 1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene?
1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene has a molecular weight of 260.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]benzene is sourced from PubChem (CID 71582227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).