1,2,3,3-tetramethoxy-4-methyl-5-(3-methylbut-2-enyl)cyclohexene

C16H28O4 — CID 118674713

IUPAC1,2,3,3-tetramethoxy-4-methyl-5-(3-methylbut-2-enyl)cyclohexene
SMILESCOC1=C(OC)C(OC)(OC)C(C)C(CC=C(C)C)C1
InChIInChI=1S/C16H28O4/c1-11(2)8-9-13-10-14(17-4)15(18-5)16(19-6,20-7)12(13)3/h8,12-13H,9-10H2,1-7H3
InChIKeyJCINBTSYNZPKDS-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.49
Rot. Bonds6

About 1,2,3,3-tetramethoxy-4-methyl-5-(3-methylbut-2-enyl)cyclohexene

1,2,3,3-tetramethoxy-4-methyl-5-(3-methylbut-2-enyl)cyclohexene (PubChem CID 118674713) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1,2,3,3-tetramethoxy-4-methyl-5-(3-methylbut-2-enyl)cyclohexene.

Molecular Properties

Compound Name1,2,3,3-tetramethoxy-4-methyl-5-(3-methylbut-2-enyl)cyclohexene
PubChem CID118674713
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name1,2,3,3-tetramethoxy-4-methyl-5-(3-methylbut-2-enyl)cyclohexene
SMILESCOC1=C(OC)C(OC)(OC)C(C)C(CC=C(C)C)C1
InChIInChI=1S/C16H28O4/c1-11(2)8-9-13-10-14(17-4)15(18-5)16(19-6,20-7)12(13)3/h8,12-13H,9-10H2,1-7H3
InChIKeyJCINBTSYNZPKDS-UHFFFAOYSA-N
XLogP3.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,3,3-Tetramethoxy-4-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexene
CID 118664261
1,2,3,3-tetramethoxy-5-[(2E,6E)-11-methoxy-3,7,11-trimethyldodeca-2,6-dienyl]-4-methylcyclohexene
CID 118674434
2,3,4,4-tetramethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol
CID 118674435
2,3,4,4-Tetramethoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-ol
CID 145001948
1,2,3,3-tetramethoxy-4-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexene
CID 145001951
1,2,3-Trimethoxy-3-propan-2-yloxy-5-prop-2-enylcyclohexene
CID 145001992
3,4,4-trimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-ol
CID 145002011

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3-tetramethoxy-4-methyl-5-(3-methylbut-2-enyl)cyclohexene?
The IUPAC name of 1,2,3,3-tetramethoxy-4-methyl-5-(3-methylbut-2-enyl)cyclohexene (CID 118674713) is 1,2,3,3-tetramethoxy-4-methyl-5-(3-methylbut-2-enyl)cyclohexene.
What is the SMILES notation for 1,2,3,3-tetramethoxy-4-methyl-5-(3-methylbut-2-enyl)cyclohexene?
The canonical SMILES for 1,2,3,3-tetramethoxy-4-methyl-5-(3-methylbut-2-enyl)cyclohexene is COC1=C(OC)C(OC)(OC)C(C)C(CC=C(C)C)C1.
What is the InChIKey of 1,2,3,3-tetramethoxy-4-methyl-5-(3-methylbut-2-enyl)cyclohexene?
The InChIKey is JCINBTSYNZPKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-11(2)8-9-13-10-14(17-4)15(18-5)16(19-6,20-7)12(13)3/h8,12-13H,9-10H2,1-7H3.
What are the key properties of 1,2,3,3-tetramethoxy-4-methyl-5-(3-methylbut-2-enyl)cyclohexene?
1,2,3,3-tetramethoxy-4-methyl-5-(3-methylbut-2-enyl)cyclohexene has a molecular weight of 284.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetramethoxy-4-methyl-5-(3-methylbut-2-enyl)cyclohexene is sourced from PubChem (CID 118674713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).