3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol

C12H22O2 — CID 123190040

IUPAC3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol
SMILESCC1CC2(O)CC(CC(C)(O)C2)C1C
InChIInChI=1S/C12H22O2/c1-8-4-12(14)6-10(9(8)2)5-11(3,13)7-12/h8-10,13-14H,4-7H2,1-3H3
InChIKeyNURDNGJECIIPFZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.94
Rot. Bonds

About 3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol

3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol (PubChem CID 123190040) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol.

Molecular Properties

Compound Name3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol
PubChem CID123190040
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol
SMILESCC1CC2(O)CC(CC(C)(O)C2)C1C
InChIInChI=1S/C12H22O2/c1-8-4-12(14)6-10(9(8)2)5-11(3,13)7-12/h8-10,13-14H,4-7H2,1-3H3
InChIKeyNURDNGJECIIPFZ-UHFFFAOYSA-N
XLogP1.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70226236
(1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol
CID 10486972
fluoromethane;1,3,3,5-tetramethylcyclohexan-1-ol
CID 142032504
(2R,6S)-2,4,6-trimethylpiperidin-4-ol
CID 168826968
4-methyltricyclo[3.3.1.03,7]nonan-1-ol
CID 123795374
(1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol
CID 10583336
1,5,5-trimethylcyclohexane-1,3-diol
CID 12684659
6-(methoxymethyl)adamantane-1,3-diol
CID 70849397
1,2,2,3-tetramethylcyclobutan-1-ol
CID 175148355
(1S,2R,4R,6R)-4,6-dimethylcyclohexane-1,2,4-triol
CID 142953228
trans-(1S,5S)-5-chloro-1,3,3-trimethylcyclohexan-1-ol
CID 101161058
2-methylcyclopropane-1,1-diol
CID 68932442

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol?
The IUPAC name of 3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol (CID 123190040) is 3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol.
What is the SMILES notation for 3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol?
The canonical SMILES for 3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol is CC1CC2(O)CC(CC(C)(O)C2)C1C.
What is the InChIKey of 3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol?
The InChIKey is NURDNGJECIIPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-8-4-12(14)6-10(9(8)2)5-11(3,13)7-12/h8-10,13-14H,4-7H2,1-3H3.
What are the key properties of 3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol?
3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol has a molecular weight of 198.31 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethylbicyclo[3.3.1]nonane-1,3-diol is sourced from PubChem (CID 123190040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).