(3R,11S)-tricyclo[5.5.1.03,11]tridecane

C13H22 — CID 54121059

IUPAC(3R,11S)-tricyclo[5.5.1.03,11]tridecane
SMILESC1CC2CCC[C@H]3CC(C2)C[C@H]3C1
InChIInChI=1S/C13H22/c1-3-10-4-2-6-13-9-11(7-10)8-12(13)5-1/h10-13H,1-9H2/t10?,11?,12-,13+
InChIKeyNNSNPSIRKCWPSQ-BPNZPQAUSA-N
MW178.32 g/mol
LogP4.00
Rot. Bonds

About (3R,11S)-tricyclo[5.5.1.03,11]tridecane

(3R,11S)-tricyclo[5.5.1.03,11]tridecane (PubChem CID 54121059) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (3R,11S)-tricyclo[5.5.1.03,11]tridecane.

Molecular Properties

Compound Name(3R,11S)-tricyclo[5.5.1.03,11]tridecane
PubChem CID54121059
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(3R,11S)-tricyclo[5.5.1.03,11]tridecane
SMILESC1CC2CCC[C@H]3CC(C2)C[C@H]3C1
InChIInChI=1S/C13H22/c1-3-10-4-2-6-13-9-11(7-10)8-12(13)5-1/h10-13H,1-9H2/t10?,11?,12-,13+
InChIKeyNNSNPSIRKCWPSQ-BPNZPQAUSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bicyclo[4.3.1]decane
CID 12592588
(1S,6R)-bicyclo[4.3.1]decane
CID 58154231
bicyclo[5.3.1]undecane
CID 14399147
2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;bicyclo[2.2.1]heptane;bicyclo[3.2.0]heptane;bicyclo[4.1.0]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[5.2.0]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.2.0]octane
CID 158844254
bicyclo[3.1.0]hexane;dihydrochloride
CID 141306080
bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190
tricyclo[4.3.1.12,5]undecane
CID 13070377
bicyclo[3.1.1]heptane;bicyclo[4.1.0]heptane;ethane;propane
CID 90909345
methane;(2S)-2-methylbicyclo[3.3.1]nonane
CID 165048741
bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bis(bicyclo[4.2.1]nonane);bicyclo[2.2.2]octane;bicyclo[3.2.1]octane
CID 160674450
bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[4.3.3]dodecane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[3.3.3]undecane;bis(bicyclo[4.3.2]undecane)
CID 158680471
bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[4.2.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[4.3.2]undecane
CID 158767319

Frequently Asked Questions

What is the IUPAC name of (3R,11S)-tricyclo[5.5.1.03,11]tridecane?
The IUPAC name of (3R,11S)-tricyclo[5.5.1.03,11]tridecane (CID 54121059) is (3R,11S)-tricyclo[5.5.1.03,11]tridecane.
What is the SMILES notation for (3R,11S)-tricyclo[5.5.1.03,11]tridecane?
The canonical SMILES for (3R,11S)-tricyclo[5.5.1.03,11]tridecane is C1CC2CCC[C@H]3CC(C2)C[C@H]3C1.
What is the InChIKey of (3R,11S)-tricyclo[5.5.1.03,11]tridecane?
The InChIKey is NNSNPSIRKCWPSQ-BPNZPQAUSA-N. The full InChI is InChI=1S/C13H22/c1-3-10-4-2-6-13-9-11(7-10)8-12(13)5-1/h10-13H,1-9H2/t10?,11?,12-,13+.
What are the key properties of (3R,11S)-tricyclo[5.5.1.03,11]tridecane?
(3R,11S)-tricyclo[5.5.1.03,11]tridecane has a molecular weight of 178.32 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,11S)-tricyclo[5.5.1.03,11]tridecane is sourced from PubChem (CID 54121059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).