1-methyltricyclo[5.2.1.02,6]decane-4,8-diol

C11H18O2 — CID 70536291

IUPAC1-methyltricyclo[5.2.1.02,6]decane-4,8-diol
SMILESCC12CC(O)C(C1)C1CC(O)CC12
InChIInChI=1S/C11H18O2/c1-11-4-8(10(13)5-11)7-2-6(12)3-9(7)11/h6-10,12-13H,2-5H2,1H3
InChIKeyFRIUBWPBKBBHPX-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.16
Rot. Bonds

About 1-methyltricyclo[5.2.1.02,6]decane-4,8-diol

1-methyltricyclo[5.2.1.02,6]decane-4,8-diol (PubChem CID 70536291) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-methyltricyclo[5.2.1.02,6]decane-4,8-diol.

Molecular Properties

Compound Name1-methyltricyclo[5.2.1.02,6]decane-4,8-diol
PubChem CID70536291
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-methyltricyclo[5.2.1.02,6]decane-4,8-diol
SMILESCC12CC(O)C(C1)C1CC(O)CC12
InChIInChI=1S/C11H18O2/c1-11-4-8(10(13)5-11)7-2-6(12)3-9(7)11/h6-10,12-13H,2-5H2,1H3
InChIKeyFRIUBWPBKBBHPX-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13412248
(5S,8S,9R,10S,11R,13S,14R,16S)-11,16-dihydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 162915768
4,6-dimethylbicyclo[4.1.0]heptan-2-ol
CID 130126006
(3R,5S,6S,8R,9R,10S,13R,14R,16R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,16-triol
CID 125028526
1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-ol
CID 25082929
(5S,8S,9S,10S,11R,13S,14S,16S)-11,16-dihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 162989901
(5R,8R,9S,10S,13S,14S,16R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol
CID 11917288
(5R,8R,9R,10S,13R,14R,16R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol
CID 7829981
(1R,2R,5S)-4,4-dimethylbicyclo[3.2.0]heptan-2-ol
CID 130927421
(8S,9S,10S,13R,14S,16R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-ol
CID 54260042
(1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol
CID 10931443
(8S,9R,10S,13R,14S)-16-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-one
CID 57251518

Frequently Asked Questions

What is the IUPAC name of 1-methyltricyclo[5.2.1.02,6]decane-4,8-diol?
The IUPAC name of 1-methyltricyclo[5.2.1.02,6]decane-4,8-diol (CID 70536291) is 1-methyltricyclo[5.2.1.02,6]decane-4,8-diol.
What is the SMILES notation for 1-methyltricyclo[5.2.1.02,6]decane-4,8-diol?
The canonical SMILES for 1-methyltricyclo[5.2.1.02,6]decane-4,8-diol is CC12CC(O)C(C1)C1CC(O)CC12.
What is the InChIKey of 1-methyltricyclo[5.2.1.02,6]decane-4,8-diol?
The InChIKey is FRIUBWPBKBBHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11-4-8(10(13)5-11)7-2-6(12)3-9(7)11/h6-10,12-13H,2-5H2,1H3.
What are the key properties of 1-methyltricyclo[5.2.1.02,6]decane-4,8-diol?
1-methyltricyclo[5.2.1.02,6]decane-4,8-diol has a molecular weight of 182.26 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyltricyclo[5.2.1.02,6]decane-4,8-diol is sourced from PubChem (CID 70536291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).