pentacyclo[6.4.1.02,6.03,13.05,11]tridecane

C13H18 — CID 163947804

IUPACpentacyclo[6.4.1.02,6.03,13.05,11]tridecane
SMILESC1CC2CC3C4CC5C2C(CC14)C35
InChIInChI=1S/C13H18/c1-2-7-4-9-8-5-11-12(7)10(13(9)11)3-6(1)8/h6-13H,1-5H2
InChIKeyRWRGYRDAWHMRTO-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.93
Rot. Bonds

About pentacyclo[6.4.1.02,6.03,13.05,11]tridecane

pentacyclo[6.4.1.02,6.03,13.05,11]tridecane (PubChem CID 163947804) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is pentacyclo[6.4.1.02,6.03,13.05,11]tridecane.

Molecular Properties

Compound Namepentacyclo[6.4.1.02,6.03,13.05,11]tridecane
PubChem CID163947804
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Namepentacyclo[6.4.1.02,6.03,13.05,11]tridecane
SMILESC1CC2CC3C4CC5C2C(CC14)C35
InChIInChI=1S/C13H18/c1-2-7-4-9-8-5-11-12(7)10(13(9)11)3-6(1)8/h6-13H,1-5H2
InChIKeyRWRGYRDAWHMRTO-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane
CID 90749400
pentacyclo[6.4.0.02,7.03,11.05,10]dodecane
CID 90708847
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048
pentacyclo[9.3.1.15,8.02,14.03,10]hexadecane
CID 163955240
heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane
CID 59938675
tetracyclo[6.2.1.02,5.04,6]undecane
CID 143721490
tetracyclo[8.2.1.02,9.03,7]tridecane
CID 117070325
tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)
CID 158145834
tetracyclo[9.2.1.02,10.03,8]tetradecane
CID 6850833
2-cyclopropyl-4-(2-cyclopropylcyclopropyl)bicyclo[1.1.0]butane
CID 123646465
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
(2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane
CID 59892974

Frequently Asked Questions

What is the IUPAC name of pentacyclo[6.4.1.02,6.03,13.05,11]tridecane?
The IUPAC name of pentacyclo[6.4.1.02,6.03,13.05,11]tridecane (CID 163947804) is pentacyclo[6.4.1.02,6.03,13.05,11]tridecane.
What is the SMILES notation for pentacyclo[6.4.1.02,6.03,13.05,11]tridecane?
The canonical SMILES for pentacyclo[6.4.1.02,6.03,13.05,11]tridecane is C1CC2CC3C4CC5C2C(CC14)C35.
What is the InChIKey of pentacyclo[6.4.1.02,6.03,13.05,11]tridecane?
The InChIKey is RWRGYRDAWHMRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-2-7-4-9-8-5-11-12(7)10(13(9)11)3-6(1)8/h6-13H,1-5H2.
What are the key properties of pentacyclo[6.4.1.02,6.03,13.05,11]tridecane?
pentacyclo[6.4.1.02,6.03,13.05,11]tridecane has a molecular weight of 174.29 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[6.4.1.02,6.03,13.05,11]tridecane is sourced from PubChem (CID 163947804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).