2-pentyltricyclo[1.1.1.01,3]pentane

C10H16 — CID 14812704

IUPAC2-pentyltricyclo[1.1.1.01,3]pentane
SMILESCCCCCC1C23CC12C3
InChIInChI=1S/C10H16/c1-2-3-4-5-8-9-6-10(8,9)7-9/h8H,2-7H2,1H3
InChIKeyPTOBRNCBGMQIGC-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.98
Rot. Bonds4

About 2-pentyltricyclo[1.1.1.01,3]pentane

2-pentyltricyclo[1.1.1.01,3]pentane (PubChem CID 14812704) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2-pentyltricyclo[1.1.1.01,3]pentane.

Molecular Properties

Compound Name2-pentyltricyclo[1.1.1.01,3]pentane
PubChem CID14812704
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2-pentyltricyclo[1.1.1.01,3]pentane
SMILESCCCCCC1C23CC12C3
InChIInChI=1S/C10H16/c1-2-3-4-5-8-9-6-10(8,9)7-9/h8H,2-7H2,1H3
InChIKeyPTOBRNCBGMQIGC-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pentyltricyclo[1.1.1.01,3]pentane?
The IUPAC name of 2-pentyltricyclo[1.1.1.01,3]pentane (CID 14812704) is 2-pentyltricyclo[1.1.1.01,3]pentane.
What is the SMILES notation for 2-pentyltricyclo[1.1.1.01,3]pentane?
The canonical SMILES for 2-pentyltricyclo[1.1.1.01,3]pentane is CCCCCC1C23CC12C3.
What is the InChIKey of 2-pentyltricyclo[1.1.1.01,3]pentane?
The InChIKey is PTOBRNCBGMQIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-2-3-4-5-8-9-6-10(8,9)7-9/h8H,2-7H2,1H3.
What are the key properties of 2-pentyltricyclo[1.1.1.01,3]pentane?
2-pentyltricyclo[1.1.1.01,3]pentane has a molecular weight of 136.24 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyltricyclo[1.1.1.01,3]pentane is sourced from PubChem (CID 14812704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).