9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene

C15H26O — CID 90260929

IUPAC9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene
SMILESCC1(C)C2CCCCC2OC2CCCCC21
InChIInChI=1S/C15H26O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h11-14H,3-10H2,1-2H3
InChIKeyAAEDQZFFIBMKRF-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.16
Rot. Bonds

About 9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene

9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene (PubChem CID 90260929) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene.

Molecular Properties

Compound Name9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene
PubChem CID90260929
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene
SMILESCC1(C)C2CCCCC2OC2CCCCC21
InChIInChI=1S/C15H26O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h11-14H,3-10H2,1-2H3
InChIKeyAAEDQZFFIBMKRF-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene?
The IUPAC name of 9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene (CID 90260929) is 9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene.
What is the SMILES notation for 9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene?
The canonical SMILES for 9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene is CC1(C)C2CCCCC2OC2CCCCC21.
What is the InChIKey of 9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene?
The InChIKey is AAEDQZFFIBMKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h11-14H,3-10H2,1-2H3.
What are the key properties of 9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene?
9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene has a molecular weight of 222.37 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroxanthene is sourced from PubChem (CID 90260929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).