tetracyclo[5.5.1.04,13.010,13]tridecane-2,6,8,12-tetrol

C13H20O4 — CID 13486054

IUPACtetracyclo[5.5.1.04,13.010,13]tridecane-2,6,8,12-tetrol
SMILESOC1CC2CC(O)C3C(O)CC4CC(O)C1C243
InChIInChI=1S/C13H20O4/c14-7-1-5-2-8(15)12-10(17)4-6-3-9(16)11(7)13(5,6)12/h5-12,14-17H,1-4H2
InChIKeySQYNNZZYORTRMT-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.50
Rot. Bonds

About tetracyclo[5.5.1.04,13.010,13]tridecane-2,6,8,12-tetrol

tetracyclo[5.5.1.04,13.010,13]tridecane-2,6,8,12-tetrol (PubChem CID 13486054) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is tetracyclo[5.5.1.04,13.010,13]tridecane-2,6,8,12-tetrol.

Molecular Properties

Compound Nametetracyclo[5.5.1.04,13.010,13]tridecane-2,6,8,12-tetrol
PubChem CID13486054
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Nametetracyclo[5.5.1.04,13.010,13]tridecane-2,6,8,12-tetrol
SMILESOC1CC2CC(O)C3C(O)CC4CC(O)C1C243
InChIInChI=1S/C13H20O4/c14-7-1-5-2-8(15)12-10(17)4-6-3-9(16)11(7)13(5,6)12/h5-12,14-17H,1-4H2
InChIKeySQYNNZZYORTRMT-UHFFFAOYSA-N
XLogP-0.50
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,3aS,3bS,6aS,7aS)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol
CID 14487977
(1R,2R,3S,5S,7R,8R,10S,12R,13R,16R)-2,6,6,12-tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecane-2,5,7,8,10,12-hexol
CID 154496830
Ent-Gloeosteretriol
CID 10800959
Chondroterpene F
CID 139589729
Kalmanol
CID 101607756
Ceratopicanol
CID 11831043
(2S,3S,3aS,3bR,6aS,7S,7aR)-2,3,3a,5,5-pentamethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-7-ol
CID 139584314
Gloeosteretriol
CID 132365
(-)-Cameroonan-7alpha-ol
CID 91748571
(1S,2R,5S,8S,9R)-3,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
CID 10846702
Npc164105
CID 189600
(1R,2R,3S,5S,7R,8R,12R,13R)-2,6,6,12-tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecane-2,5,7,8,10,12-hexol
CID 54750298

Frequently Asked Questions

What is the IUPAC name of tetracyclo[5.5.1.04,13.010,13]tridecane-2,6,8,12-tetrol?
The IUPAC name of tetracyclo[5.5.1.04,13.010,13]tridecane-2,6,8,12-tetrol (CID 13486054) is tetracyclo[5.5.1.04,13.010,13]tridecane-2,6,8,12-tetrol.
What is the SMILES notation for tetracyclo[5.5.1.04,13.010,13]tridecane-2,6,8,12-tetrol?
The canonical SMILES for tetracyclo[5.5.1.04,13.010,13]tridecane-2,6,8,12-tetrol is OC1CC2CC(O)C3C(O)CC4CC(O)C1C243.
What is the InChIKey of tetracyclo[5.5.1.04,13.010,13]tridecane-2,6,8,12-tetrol?
The InChIKey is SQYNNZZYORTRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c14-7-1-5-2-8(15)12-10(17)4-6-3-9(16)11(7)13(5,6)12/h5-12,14-17H,1-4H2.
What are the key properties of tetracyclo[5.5.1.04,13.010,13]tridecane-2,6,8,12-tetrol?
tetracyclo[5.5.1.04,13.010,13]tridecane-2,6,8,12-tetrol has a molecular weight of 240.30 g/mol, XLogP of -0.50, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[5.5.1.04,13.010,13]tridecane-2,6,8,12-tetrol is sourced from PubChem (CID 13486054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).