(8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane

C13H20 — CID 102285377

IUPAC(8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane
SMILESC1CCCC23C[C@H]4C[C@H]4[C@@H]2[C@@H]3CC1
InChIInChI=1S/C13H20/c1-2-4-6-13-8-9-7-10(9)12(13)11(13)5-3-1/h9-12H,1-8H2/t9-,10-,11+,12-,13?/m1/s1
InChIKeyRREAMALNRKSEMR-HENWMNBSSA-N
MW176.30 g/mol
LogP3.61
Rot. Bonds

About (8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane

(8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane (PubChem CID 102285377) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane.

Molecular Properties

Compound Name(8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane
PubChem CID102285377
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane
SMILESC1CCCC23C[C@H]4C[C@H]4[C@@H]2[C@@H]3CC1
InChIInChI=1S/C13H20/c1-2-4-6-13-8-9-7-10(9)12(13)11(13)5-3-1/h9-12H,1-8H2/t9-,10-,11+,12-,13?/m1/s1
InChIKeyRREAMALNRKSEMR-HENWMNBSSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-tetracyclo[4.2.0.01,7.03,5]octane
CID 148765284
3-methyltricyclo[3.3.0.01,4]octane
CID 123792229
2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane]
CID 123849579
1,1-di(cyclooctyl)cyclooctane
CID 23107007
(5S,6S)-tricyclo[4.3.0.01,5]nonane
CID 144518883
(5R)-tricyclo[3.2.0.01,6]heptane
CID 163731431
2'-methylspiro[cyclopropane-1,4'-tricyclo[6.4.0.03,5]dodecane]
CID 163444946
9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane
CID 91591704
(2R)-2-cyclohexyl-1,1-difluorocyclohexane
CID 125450825
2-cyclononylcyclononane-1,1-diol
CID 23113232
(4S,5R,12R)-spiro[4.7]dodecane-4,12-diol
CID 11127251
spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane]
CID 123272406

Frequently Asked Questions

What is the IUPAC name of (8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane?
The IUPAC name of (8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane (CID 102285377) is (8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane.
What is the SMILES notation for (8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane?
The canonical SMILES for (8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane is C1CCCC23C[C@H]4C[C@H]4[C@@H]2[C@@H]3CC1.
What is the InChIKey of (8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane?
The InChIKey is RREAMALNRKSEMR-HENWMNBSSA-N. The full InChI is InChI=1S/C13H20/c1-2-4-6-13-8-9-7-10(9)12(13)11(13)5-3-1/h9-12H,1-8H2/t9-,10-,11+,12-,13?/m1/s1.
What are the key properties of (8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane?
(8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane has a molecular weight of 176.30 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane is sourced from PubChem (CID 102285377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).