9,10-bis[(2-methylpropan-2-yl)oxy]bicyclo[6.2.0]deca-1(8),2,4,6,9-pentaene

C18H24O2 — CID 134982317

IUPAC9,10-bis[(2-methylpropan-2-yl)oxy]bicyclo[6.2.0]deca-1(8),2,4,6,9-pentaene
SMILESCC(C)(C)Oc1c(OC(C)(C)C)c2ccccccc1=2
InChIInChI=1S/C18H24O2/c1-17(2,3)19-15-13-11-9-7-8-10-12-14(13)16(15)20-18(4,5)6/h7-12H,1-6H3/b8-7-,9-7-,10-8-,11-9-,12-10-,13-11+,14-12+
InChIKeyZWYMAQJTINLKOB-JYJVAASBSA-N
MW272.39 g/mol
LogP4.77
Rot. Bonds2

About 9,10-bis[(2-methylpropan-2-yl)oxy]bicyclo[6.2.0]deca-1(8),2,4,6,9-pentaene

9,10-bis[(2-methylpropan-2-yl)oxy]bicyclo[6.2.0]deca-1(8),2,4,6,9-pentaene (PubChem CID 134982317) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 9,10-bis[(2-methylpropan-2-yl)oxy]bicyclo[6.2.0]deca-1(8),2,4,6,9-pentaene.

Molecular Properties

Compound Name9,10-bis[(2-methylpropan-2-yl)oxy]bicyclo[6.2.0]deca-1(8),2,4,6,9-pentaene
PubChem CID134982317
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name9,10-bis[(2-methylpropan-2-yl)oxy]bicyclo[6.2.0]deca-1(8),2,4,6,9-pentaene
SMILESCC(C)(C)Oc1c(OC(C)(C)C)c2ccccccc1=2
InChIInChI=1S/C18H24O2/c1-17(2,3)19-15-13-11-9-7-8-10-12-14(13)16(15)20-18(4,5)6/h7-12H,1-6H3/b8-7-,9-7-,10-8-,11-9-,12-10-,13-11+,14-12+
InChIKeyZWYMAQJTINLKOB-JYJVAASBSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis[(2-methylpropan-2-yl)oxy]bicyclo[6.2.0]deca-1(8),2,4,6,9-pentaene?
The IUPAC name of 9,10-bis[(2-methylpropan-2-yl)oxy]bicyclo[6.2.0]deca-1(8),2,4,6,9-pentaene (CID 134982317) is 9,10-bis[(2-methylpropan-2-yl)oxy]bicyclo[6.2.0]deca-1(8),2,4,6,9-pentaene.
What is the SMILES notation for 9,10-bis[(2-methylpropan-2-yl)oxy]bicyclo[6.2.0]deca-1(8),2,4,6,9-pentaene?
The canonical SMILES for 9,10-bis[(2-methylpropan-2-yl)oxy]bicyclo[6.2.0]deca-1(8),2,4,6,9-pentaene is CC(C)(C)Oc1c(OC(C)(C)C)c2ccccccc1=2.
What is the InChIKey of 9,10-bis[(2-methylpropan-2-yl)oxy]bicyclo[6.2.0]deca-1(8),2,4,6,9-pentaene?
The InChIKey is ZWYMAQJTINLKOB-JYJVAASBSA-N. The full InChI is InChI=1S/C18H24O2/c1-17(2,3)19-15-13-11-9-7-8-10-12-14(13)16(15)20-18(4,5)6/h7-12H,1-6H3/b8-7-,9-7-,10-8-,11-9-,12-10-,13-11+,14-12+.
What are the key properties of 9,10-bis[(2-methylpropan-2-yl)oxy]bicyclo[6.2.0]deca-1(8),2,4,6,9-pentaene?
9,10-bis[(2-methylpropan-2-yl)oxy]bicyclo[6.2.0]deca-1(8),2,4,6,9-pentaene has a molecular weight of 272.39 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[(2-methylpropan-2-yl)oxy]bicyclo[6.2.0]deca-1(8),2,4,6,9-pentaene is sourced from PubChem (CID 134982317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).