(2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane

C13H20 — CID 59892974

IUPAC(2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane
SMILESC1C[C@@H]2CC3C2C1CC[C@H]1CC[C@@H]31
InChIInChI=1S/C13H20/c1-2-9-3-4-10-7-12(13(9)10)11-6-5-8(1)11/h8-13H,1-7H2/t8-,9?,10+,11+,12?,13?/m0/s1
InChIKeyGPMAKPYXVSCXDD-NDWJTDFDSA-N
MW176.30 g/mol
LogP3.47
Rot. Bonds

About (2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane

(2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane (PubChem CID 59892974) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane.

Molecular Properties

Compound Name(2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane
PubChem CID59892974
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane
SMILESC1C[C@@H]2CC3C2C1CC[C@H]1CC[C@@H]31
InChIInChI=1S/C13H20/c1-2-9-3-4-10-7-12(13(9)10)11-6-5-8(1)11/h8-13H,1-7H2/t8-,9?,10+,11+,12?,13?/m0/s1
InChIKeyGPMAKPYXVSCXDD-NDWJTDFDSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane with MolForge

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Related Compounds

hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane
CID 140677748
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane
CID 123646465
4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 141155389
tricyclo[3.3.0.02,7]octane
CID 13112141
2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane
CID 152868631
pentacyclo[6.4.1.02,6.03,13.05,11]tridecane
CID 163947804
pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane
CID 90749400
(2-cyclopropylcyclobutyl)cyclopentane
CID 54374966
7-methyltricyclo[4.3.1.03,10]decane
CID 147439470
tetracyclo[6.3.1.02,6.010,12]dodecane
CID 146743747
hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane
CID 162283113

Frequently Asked Questions

What is the IUPAC name of (2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane?
The IUPAC name of (2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane (CID 59892974) is (2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane.
What is the SMILES notation for (2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane?
The canonical SMILES for (2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane is C1C[C@@H]2CC3C2C1CC[C@H]1CC[C@@H]31.
What is the InChIKey of (2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane?
The InChIKey is GPMAKPYXVSCXDD-NDWJTDFDSA-N. The full InChI is InChI=1S/C13H20/c1-2-9-3-4-10-7-12(13(9)10)11-6-5-8(1)11/h8-13H,1-7H2/t8-,9?,10+,11+,12?,13?/m0/s1.
What are the key properties of (2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane?
(2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane has a molecular weight of 176.30 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane is sourced from PubChem (CID 59892974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).