tricyclo[4.3.1.02,4]decane

C10H16 — CID 53439165

IUPACtricyclo[4.3.1.02,4]decane
SMILESC1CC2CC(C1)C1CC1C2
InChIInChI=1S/C10H16/c1-2-7-4-8(3-1)10-6-9(10)5-7/h7-10H,1-6H2
InChIKeyPQUIRCTTXSCOFZ-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.83
Rot. Bonds

About tricyclo[4.3.1.02,4]decane

tricyclo[4.3.1.02,4]decane (PubChem CID 53439165) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is tricyclo[4.3.1.02,4]decane.

Molecular Properties

Compound Nametricyclo[4.3.1.02,4]decane
PubChem CID53439165
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Nametricyclo[4.3.1.02,4]decane
SMILESC1CC2CC(C1)C1CC1C2
InChIInChI=1S/C10H16/c1-2-7-4-8(3-1)10-6-9(10)5-7/h7-10H,1-6H2
InChIKeyPQUIRCTTXSCOFZ-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricyclo[4.3.1.02,4]decane?
The IUPAC name of tricyclo[4.3.1.02,4]decane (CID 53439165) is tricyclo[4.3.1.02,4]decane.
What is the SMILES notation for tricyclo[4.3.1.02,4]decane?
The canonical SMILES for tricyclo[4.3.1.02,4]decane is C1CC2CC(C1)C1CC1C2.
What is the InChIKey of tricyclo[4.3.1.02,4]decane?
The InChIKey is PQUIRCTTXSCOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-2-7-4-8(3-1)10-6-9(10)5-7/h7-10H,1-6H2.
What are the key properties of tricyclo[4.3.1.02,4]decane?
tricyclo[4.3.1.02,4]decane has a molecular weight of 136.24 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.3.1.02,4]decane is sourced from PubChem (CID 53439165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).