(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane

C17H30 — CID 58625736

IUPAC(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
SMILESCC1CCC2C[C@@H]3CC[C@@H](C)[C@H](CC[C@H]1C3)C2
InChIInChI=1S/C17H30/c1-12-3-5-14-9-15-6-4-13(2)17(11-14)8-7-16(12)10-15/h12-17H,3-11H2,1-2H3/t12-,13?,14+,15?,16-,17+/m1/s1
InChIKeyDAAKBNXUIASWQE-SMFLGMIPSA-N
MW234.43 g/mol
LogP5.28
Rot. Bonds

About (1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane

(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane (PubChem CID 58625736) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is (1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane.

Molecular Properties

Compound Name(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
PubChem CID58625736
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
SMILESCC1CCC2C[C@@H]3CC[C@@H](C)[C@H](CC[C@H]1C3)C2
InChIInChI=1S/C17H30/c1-12-3-5-14-9-15-6-4-13(2)17(11-14)8-7-16(12)10-15/h12-17H,3-11H2,1-2H3/t12-,13?,14+,15?,16-,17+/m1/s1
InChIKeyDAAKBNXUIASWQE-SMFLGMIPSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane with MolForge

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Related Compounds

(5S)-2-methylbicyclo[3.2.1]octane
CID 154516111
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
(2S)-2-methylbicyclo[2.2.1]heptane;propane
CID 157354285
ethane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane
CID 158423545
methane;(2S)-2-methylbicyclo[3.3.1]nonane
CID 165048741
4,5-dimethyltricyclo[6.2.1.13,6]dodecane
CID 59550450
(1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane
CID 135045002
2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane
CID 159125813
(3S)-9-methyl-4-thiatricyclo[6.2.2.13,6]tridecane
CID 146233668
bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane
CID 159187687
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 114975460

Frequently Asked Questions

What is the IUPAC name of (1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane?
The IUPAC name of (1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane (CID 58625736) is (1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane.
What is the SMILES notation for (1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane?
The canonical SMILES for (1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane is CC1CCC2C[C@@H]3CC[C@@H](C)[C@H](CC[C@H]1C3)C2.
What is the InChIKey of (1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane?
The InChIKey is DAAKBNXUIASWQE-SMFLGMIPSA-N. The full InChI is InChI=1S/C17H30/c1-12-3-5-14-9-15-6-4-13(2)17(11-14)8-7-16(12)10-15/h12-17H,3-11H2,1-2H3/t12-,13?,14+,15?,16-,17+/m1/s1.
What are the key properties of (1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane?
(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane has a molecular weight of 234.43 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane is sourced from PubChem (CID 58625736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).