bicyclo[4.3.1]decane

C10H18 — CID 12592588

IUPACbicyclo[4.3.1]decane
SMILESC1CCC2CCCC(C1)C2
InChIInChI=1S/C10H18/c1-2-5-10-7-3-6-9(4-1)8-10/h9-10H,1-8H2
InChIKeyQEGGPUAKCVWNOT-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.37
Rot. Bonds

About bicyclo[4.3.1]decane

bicyclo[4.3.1]decane (PubChem CID 12592588) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is bicyclo[4.3.1]decane.

Molecular Properties

Compound Namebicyclo[4.3.1]decane
PubChem CID12592588
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Namebicyclo[4.3.1]decane
SMILESC1CCC2CCCC(C1)C2
InChIInChI=1S/C10H18/c1-2-5-10-7-3-6-9(4-1)8-10/h9-10H,1-8H2
InChIKeyQEGGPUAKCVWNOT-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bicyclo[4.3.1]decane?
The IUPAC name of bicyclo[4.3.1]decane (CID 12592588) is bicyclo[4.3.1]decane.
What is the SMILES notation for bicyclo[4.3.1]decane?
The canonical SMILES for bicyclo[4.3.1]decane is C1CCC2CCCC(C1)C2.
What is the InChIKey of bicyclo[4.3.1]decane?
The InChIKey is QEGGPUAKCVWNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-2-5-10-7-3-6-9(4-1)8-10/h9-10H,1-8H2.
What are the key properties of bicyclo[4.3.1]decane?
bicyclo[4.3.1]decane has a molecular weight of 138.25 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 bicyclo[4.3.1]decane is sourced from PubChem (CID 12592588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).