3-(2,2-dimethylpropyl)-9,9-dimethylxanthene

C20H24O — CID 146666376

IUPAC3-(2,2-dimethylpropyl)-9,9-dimethylxanthene
SMILESCC(C)(C)Cc1ccc2c(c1)Oc1ccccc1C2(C)C
InChIInChI=1S/C20H24O/c1-19(2,3)13-14-10-11-16-18(12-14)21-17-9-7-6-8-15(17)20(16,4)5/h6-12H,13H2,1-5H3
InChIKeyLSTGMHSMKGBCBT-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.71
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-9,9-dimethylxanthene

3-(2,2-dimethylpropyl)-9,9-dimethylxanthene (PubChem CID 146666376) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-9,9-dimethylxanthene.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-9,9-dimethylxanthene
PubChem CID146666376
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name3-(2,2-dimethylpropyl)-9,9-dimethylxanthene
SMILESCC(C)(C)Cc1ccc2c(c1)Oc1ccccc1C2(C)C
InChIInChI=1S/C20H24O/c1-19(2,3)13-14-10-11-16-18(12-14)21-17-9-7-6-8-15(17)20(16,4)5/h6-12H,13H2,1-5H3
InChIKeyLSTGMHSMKGBCBT-UHFFFAOYSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-9,9-dimethylxanthene?
The IUPAC name of 3-(2,2-dimethylpropyl)-9,9-dimethylxanthene (CID 146666376) is 3-(2,2-dimethylpropyl)-9,9-dimethylxanthene.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-9,9-dimethylxanthene?
The canonical SMILES for 3-(2,2-dimethylpropyl)-9,9-dimethylxanthene is CC(C)(C)Cc1ccc2c(c1)Oc1ccccc1C2(C)C.
What is the InChIKey of 3-(2,2-dimethylpropyl)-9,9-dimethylxanthene?
The InChIKey is LSTGMHSMKGBCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-19(2,3)13-14-10-11-16-18(12-14)21-17-9-7-6-8-15(17)20(16,4)5/h6-12H,13H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpropyl)-9,9-dimethylxanthene?
3-(2,2-dimethylpropyl)-9,9-dimethylxanthene has a molecular weight of 280.41 g/mol, XLogP of 5.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-9,9-dimethylxanthene is sourced from PubChem (CID 146666376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).