(1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene

C24H28O2 — CID 12626728

IUPAC(1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESCC(C)(C)OC1=C/C(OC(C)(C)C)=c2/cccc/c2=c2\cccc\c2=C\1
InChIInChI=1S/C24H28O2/c1-23(2,3)25-18-15-17-11-7-8-12-19(17)20-13-9-10-14-21(20)22(16-18)26-24(4,5)6/h7-16H,1-6H3/b17-15-,18-15+,18-16+,20-19-,22-16+,22-21+
InChIKeyFRMPUWLNRGUMOC-QWBVLHKPSA-N
MW348.49 g/mol
LogP4.39
Rot. Bonds2

About (1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene

(1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 12626728) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name(1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID12626728
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name(1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESCC(C)(C)OC1=C/C(OC(C)(C)C)=c2/cccc/c2=c2\cccc\c2=C\1
InChIInChI=1S/C24H28O2/c1-23(2,3)25-18-15-17-11-7-8-12-19(17)20-13-9-10-14-21(20)22(16-18)26-24(4,5)6/h7-16H,1-6H3/b17-15-,18-15+,18-16+,20-19-,22-16+,22-21+
InChIKeyFRMPUWLNRGUMOC-QWBVLHKPSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene with MolForge

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Related Compounds

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2,7-Dimethoxybiphenylene
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4-Xylenyl ether
CID 90203194
(1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 6536678
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CID 12575937
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2,7-Dimethoxytetraphenylene
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2-methyl-5H-chromene
CID 53823945

Frequently Asked Questions

What is the IUPAC name of (1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of (1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene (CID 12626728) is (1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for (1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for (1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene is CC(C)(C)OC1=C/C(OC(C)(C)C)=c2/cccc/c2=c2\cccc\c2=C\1.
What is the InChIKey of (1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is FRMPUWLNRGUMOC-QWBVLHKPSA-N. The full InChI is InChI=1S/C24H28O2/c1-23(2,3)25-18-15-17-11-7-8-12-19(17)20-13-9-10-14-21(20)22(16-18)26-24(4,5)6/h7-16H,1-6H3/b17-15-,18-15+,18-16+,20-19-,22-16+,22-21+.
What are the key properties of (1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
(1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 348.49 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,7E,9E,11Z)-8,10-bis[(2-methylpropan-2-yl)oxy]tricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 12626728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).