7-methyltricyclo[5.1.1.01,5]nonane

C10H16 — CID 123707338

IUPAC7-methyltricyclo[5.1.1.01,5]nonane
SMILESCC12CC3CCCC3(C1)C2
InChIInChI=1S/C10H16/c1-9-5-8-3-2-4-10(8,6-9)7-9/h8H,2-7H2,1H3
InChIKeyICOMUTUJLZAVEE-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.98
Rot. Bonds

About 7-methyltricyclo[5.1.1.01,5]nonane

7-methyltricyclo[5.1.1.01,5]nonane (PubChem CID 123707338) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 7-methyltricyclo[5.1.1.01,5]nonane.

Molecular Properties

Compound Name7-methyltricyclo[5.1.1.01,5]nonane
PubChem CID123707338
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name7-methyltricyclo[5.1.1.01,5]nonane
SMILESCC12CC3CCCC3(C1)C2
InChIInChI=1S/C10H16/c1-9-5-8-3-2-4-10(8,6-9)7-9/h8H,2-7H2,1H3
InChIKeyICOMUTUJLZAVEE-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-methyltricyclo[5.1.1.01,5]nonane?
The IUPAC name of 7-methyltricyclo[5.1.1.01,5]nonane (CID 123707338) is 7-methyltricyclo[5.1.1.01,5]nonane.
What is the SMILES notation for 7-methyltricyclo[5.1.1.01,5]nonane?
The canonical SMILES for 7-methyltricyclo[5.1.1.01,5]nonane is CC12CC3CCCC3(C1)C2.
What is the InChIKey of 7-methyltricyclo[5.1.1.01,5]nonane?
The InChIKey is ICOMUTUJLZAVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-9-5-8-3-2-4-10(8,6-9)7-9/h8H,2-7H2,1H3.
What are the key properties of 7-methyltricyclo[5.1.1.01,5]nonane?
7-methyltricyclo[5.1.1.01,5]nonane has a molecular weight of 136.24 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyltricyclo[5.1.1.01,5]nonane is sourced from PubChem (CID 123707338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).