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

C20H30O — CID 59288378

IUPAC1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
SMILESC/C=C/CCC1CCC(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/h5-6,13-14,17-18H,7-12H2,1-4H3/b6-5+
InChIKeyXROCGVMKRDQHMD-AATRIKPKSA-N
MW286.46 g/mol
LogP5.94
Rot. Bonds5

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

1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene (PubChem CID 59288378) 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-3-enyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
PubChem CID59288378
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
SMILESC/C=C/CCC1CCC(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/h5-6,13-14,17-18H,7-12H2,1-4H3/b6-5+
InChIKeyXROCGVMKRDQHMD-AATRIKPKSA-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

1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-1-enyl]cyclohexyl]benzene
CID 59288382
4-(4-methoxy-2,3-dimethylphenyl)cyclohexan-1-ol
CID 116963253
1-ethoxy-2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-(4-pentylcyclohexyl)benzene
CID 160550252
1-[4-[2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 67730875
1-[2,3-difluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]phenyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90161638
1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene
CID 18341909
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 67730829
1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 23569878
1-[4-(4-but-3-enylcyclohexyl)phenyl]-4-methoxy-2,3-dimethylbenzene
CID 59288380
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 90851884
1,2,3-trimethyl-5-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]benzene
CID 54434851
3-(4-methoxy-2,3-dimethylphenyl)azetidine
CID 82281458

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene?
The IUPAC name of 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene (CID 59288378) is 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene.
What is the SMILES notation for 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene?
The canonical SMILES for 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene is C/C=C/CCC1CCC(c2ccc(OC)c(C)c2C)CC1.
What is the InChIKey of 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene?
The InChIKey is XROCGVMKRDQHMD-AATRIKPKSA-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/h5-6,13-14,17-18H,7-12H2,1-4H3/b6-5+.
What are the key properties of 1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene?
1-methoxy-2,3-dimethyl-4-[4-[(E)-pent-3-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-3-enyl]cyclohexyl]benzene is sourced from PubChem (CID 59288378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).