4-[[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]methoxy]cyclohepta-1,2,4,6-tetraene

C24H34O — CID 123498381

IUPAC4-[[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]methoxy]cyclohepta-1,2,4,6-tetraene
SMILESCC(C)(C)CC(C1C=CC(COC2=CC=CC=C=C2)=CC1)C(C)(C)C
InChIInChI=1S/C24H34O/c1-23(2,3)17-22(24(4,5)6)20-15-13-19(14-16-20)18-25-21-11-9-7-8-10-12-21/h7-9,11-15,20,22H,16-18H2,1-6H3
InChIKeyKEMLWZJGWKEEHG-UHFFFAOYSA-N
MW338.54 g/mol
LogP6.77
Rot. Bonds5

About 4-[[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]methoxy]cyclohepta-1,2,4,6-tetraene

4-[[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]methoxy]cyclohepta-1,2,4,6-tetraene (PubChem CID 123498381) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 4-[[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]methoxy]cyclohepta-1,2,4,6-tetraene.

Molecular Properties

Compound Name4-[[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]methoxy]cyclohepta-1,2,4,6-tetraene
PubChem CID123498381
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name4-[[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]methoxy]cyclohepta-1,2,4,6-tetraene
SMILESCC(C)(C)CC(C1C=CC(COC2=CC=CC=C=C2)=CC1)C(C)(C)C
InChIInChI=1S/C24H34O/c1-23(2,3)17-22(24(4,5)6)20-15-13-19(14-16-20)18-25-21-11-9-7-8-10-12-21/h7-9,11-15,20,22H,16-18H2,1-6H3
InChIKeyKEMLWZJGWKEEHG-UHFFFAOYSA-N
XLogP6.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-Tert-butyl-2-[4-[4-(2-fluoro-2,3-dimethylbut-3-enoxy)cyclohexa-2,4-dien-1-yl]pent-1-en-2-yl]spiro[3.5]nona-6,8-diene
CID 91117130
2-[(1E,3E,5E,7E)-9-ethoxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 89234129
2-[(1E,3E,5E,7E)-9-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 134983425
3-ethoxy-4-fluoro-1-[(3E,5E)-5,6,7-trimethylocta-1,3,5-trien-3-yl]bicyclo[4.1.0]hepta-2,4-diene
CID 144804583
(1Z,3E,7E,11E)-2-ethoxy-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-1,3,7,11-tetraene
CID 11099138
5-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-2-methyl-4-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-4,5-dihydrooxepine
CID 15345521
2-[(1E,3E,5E,7E)-3,7-dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 18941805
2-[3,7-Dimethyl-9-[(2-methylpropan-2-yl)oxy]nona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
CID 53905722
5,6-Ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane
CID 67713557
5,6-Ditert-butyl-5-ethenoxycyclohexa-1,3-diene;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 67713749
2,5-Ditert-butyl-5-ethenoxycyclohexa-1,3-diene;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 67713769
5-(5,5-Dimethylhexan-3-yl)-2-propan-2-yloxycyclohexa-1,3-diene
CID 68385011

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]methoxy]cyclohepta-1,2,4,6-tetraene?
The IUPAC name of 4-[[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]methoxy]cyclohepta-1,2,4,6-tetraene (CID 123498381) is 4-[[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]methoxy]cyclohepta-1,2,4,6-tetraene.
What is the SMILES notation for 4-[[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]methoxy]cyclohepta-1,2,4,6-tetraene?
The canonical SMILES for 4-[[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]methoxy]cyclohepta-1,2,4,6-tetraene is CC(C)(C)CC(C1C=CC(COC2=CC=CC=C=C2)=CC1)C(C)(C)C.
What is the InChIKey of 4-[[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]methoxy]cyclohepta-1,2,4,6-tetraene?
The InChIKey is KEMLWZJGWKEEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-23(2,3)17-22(24(4,5)6)20-15-13-19(14-16-20)18-25-21-11-9-7-8-10-12-21/h7-9,11-15,20,22H,16-18H2,1-6H3.
What are the key properties of 4-[[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]methoxy]cyclohepta-1,2,4,6-tetraene?
4-[[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]methoxy]cyclohepta-1,2,4,6-tetraene has a molecular weight of 338.54 g/mol, XLogP of 6.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]methoxy]cyclohepta-1,2,4,6-tetraene is sourced from PubChem (CID 123498381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).