5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene

C26H20O — CID 59002171

IUPAC5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene
SMILESCOc1ccc2c(c1)C(C)(C)c1ccc3c4c(ccc-2c14)-c1ccccc1-3
InChIInChI=1S/C26H20O/c1-26(2)22-13-12-20-17-7-5-4-6-16(17)19-10-11-21(25(22)24(19)20)18-9-8-15(27-3)14-23(18)26/h4-14H,1-3H3
InChIKeyCCUKLCXQVKULAJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.80
Rot. Bonds1

About 5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene

5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene (PubChem CID 59002171) has the molecular formula C26H20O and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene.

Molecular Properties

Compound Name5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene
PubChem CID59002171
Molecular FormulaC26H20O
Molecular Weight348.45 g/mol
Exact Mass348.15
IUPAC Name5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene
SMILESCOc1ccc2c(c1)C(C)(C)c1ccc3c4c(ccc-2c14)-c1ccccc1-3
InChIInChI=1S/C26H20O/c1-26(2)22-13-12-20-17-7-5-4-6-16(17)19-10-11-21(25(22)24(19)20)18-9-8-15(27-3)14-23(18)26/h4-14H,1-3H3
InChIKeyCCUKLCXQVKULAJ-UHFFFAOYSA-N
XLogP6.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene with MolForge

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Related Compounds

N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
9-(7-methoxy-9,9-dimethylfluoren-2-yl)-10-[7-[10-(7-methoxy-9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20822065
8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene
CID 59002165
2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858743
2-(9,9-dimethylfluoren-2-yl)-7-[6-(6-methoxynaphthalen-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 90394242
2-[3-[3,5-bis(9,9-diethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858796
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 134516059
9,9-dimethyl-2-(2-methylphenoxy)fluorene
CID 138495913
7-methoxy-9,9-dimethylfluorene-2-carbaldehyde
CID 59236603
6-methoxy-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 137436609
2-N-(9,9-dimethylfluoren-2-yl)-2-N-[4-(N-(3-methoxyphenyl)anilino)phenyl]-6-N,6-N-diphenylnaphthalene-2,6-diamine
CID 163509487
2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene
CID 90394308

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene?
The IUPAC name of 5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene (CID 59002171) is 5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene.
What is the SMILES notation for 5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene?
The canonical SMILES for 5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene is COc1ccc2c(c1)C(C)(C)c1ccc3c4c(ccc-2c14)-c1ccccc1-3.
What is the InChIKey of 5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene?
The InChIKey is CCUKLCXQVKULAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O/c1-26(2)22-13-12-20-17-7-5-4-6-16(17)19-10-11-21(25(22)24(19)20)18-9-8-15(27-3)14-23(18)26/h4-14H,1-3H3.
What are the key properties of 5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene?
5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene has a molecular weight of 348.45 g/mol, XLogP of 6.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene is sourced from PubChem (CID 59002171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).