(5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane

C11H18 — CID 140892136

IUPAC(5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane
SMILESCC12CCC3(CC[C@@]1(C)C3)C2
InChIInChI=1S/C11H18/c1-9-3-5-11(7-9)6-4-10(9,2)8-11/h3-8H2,1-2H3/t9-,10?,11?/m0/s1
InChIKeyXYJITPOAHGYSBQ-WHXUTIOJSA-N
MW150.27 g/mol
LogP3.37
Rot. Bonds

About (5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane

(5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane (PubChem CID 140892136) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is (5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane.

Molecular Properties

Compound Name(5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane
PubChem CID140892136
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name(5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane
SMILESCC12CCC3(CC[C@@]1(C)C3)C2
InChIInChI=1S/C11H18/c1-9-3-5-11(7-9)6-4-10(9,2)8-11/h3-8H2,1-2H3/t9-,10?,11?/m0/s1
InChIKeyXYJITPOAHGYSBQ-WHXUTIOJSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane?
The IUPAC name of (5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane (CID 140892136) is (5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane.
What is the SMILES notation for (5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane?
The canonical SMILES for (5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane is CC12CCC3(CC[C@@]1(C)C3)C2.
What is the InChIKey of (5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane?
The InChIKey is XYJITPOAHGYSBQ-WHXUTIOJSA-N. The full InChI is InChI=1S/C11H18/c1-9-3-5-11(7-9)6-4-10(9,2)8-11/h3-8H2,1-2H3/t9-,10?,11?/m0/s1.
What are the key properties of (5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane?
(5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane has a molecular weight of 150.27 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4,5-dimethyltricyclo[3.2.1.11,4]nonane is sourced from PubChem (CID 140892136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).