1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene

C20H30O — CID 59288382

IUPAC1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene
SMILESCCC/C=C/C1CCC(c2ccc(OC)c(C)c2C)CC1
InChIInChI=1S/C20H30O/c1-5-6-7-8-17-9-11-18(12-10-17)19-13-14-20(21-4)16(3)15(19)2/h7-8,13-14,17-18H,5-6,9-12H2,1-4H3/b8-7+
InChIKeyWMOZSIVTQBNICA-BQYQJAHWSA-N
MW286.46 g/mol
LogP5.94
Rot. Bonds5

About 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene

1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene (PubChem CID 59288382) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene
PubChem CID59288382
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene
SMILESCCC/C=C/C1CCC(c2ccc(OC)c(C)c2C)CC1
InChIInChI=1S/C20H30O/c1-5-6-7-8-17-9-11-18(12-10-17)19-13-14-20(21-4)16(3)15(19)2/h7-8,13-14,17-18H,5-6,9-12H2,1-4H3/b8-7+
InChIKeyWMOZSIVTQBNICA-BQYQJAHWSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-methoxy-4-[4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]benzene
CID 20621725
1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 59288378
4-(4-methoxy-2,3-dimethylphenyl)cyclohexan-1-ol
CID 116963253
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 20621688
2,3-difluoro-1-methoxy-4-[4-[4-[4-(4-propylphenyl)phenyl]but-1-enyl]cyclohexyl]benzene
CID 77417264
2,3-difluoro-1-methoxy-4-[4-[4-[4-(4-propylphenyl)but-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 77417322
2,3-difluoro-1-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]-4-[(E)-prop-1-enoxy]benzene
CID 90161515
3-(4-methoxy-2,3-dimethylphenyl)azetidine
CID 82281458
1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane
CID 67570226
4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline
CID 18642462
2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 69087569
1-[4-[4-(4-butylphenyl)but-1-enyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 77417120

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene?
The IUPAC name of 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene (CID 59288382) is 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene.
What is the SMILES notation for 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene?
The canonical SMILES for 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene is CCC/C=C/C1CCC(c2ccc(OC)c(C)c2C)CC1.
What is the InChIKey of 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene?
The InChIKey is WMOZSIVTQBNICA-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H30O/c1-5-6-7-8-17-9-11-18(12-10-17)19-13-14-20(21-4)16(3)15(19)2/h7-8,13-14,17-18H,5-6,9-12H2,1-4H3/b8-7+.
What are the key properties of 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene?
1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene has a molecular weight of 286.46 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene is sourced from PubChem (CID 59288382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).