5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane

C15H24 — CID 123956771

IUPAC5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane
SMILESCCCC1CC23CC4C(CC(C)C)(C2)C143
InChIInChI=1S/C15H24/c1-4-5-11-7-13-8-12-14(9-13,6-10(2)3)15(11,12)13/h10-12H,4-9H2,1-3H3
InChIKeyUPVAZBWBVCUGEA-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.25
Rot. Bonds4

About 5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane

5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane (PubChem CID 123956771) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane
PubChem CID123956771
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane
SMILESCCCC1CC23CC4C(CC(C)C)(C2)C143
InChIInChI=1S/C15H24/c1-4-5-11-7-13-8-12-14(9-13,6-10(2)3)15(11,12)13/h10-12H,4-9H2,1-3H3
InChIKeyUPVAZBWBVCUGEA-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane?
The IUPAC name of 5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane (CID 123956771) is 5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane.
What is the SMILES notation for 5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane?
The canonical SMILES for 5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane is CCCC1CC23CC4C(CC(C)C)(C2)C143.
What is the InChIKey of 5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane?
The InChIKey is UPVAZBWBVCUGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-4-5-11-7-13-8-12-14(9-13,6-10(2)3)15(11,12)13/h10-12H,4-9H2,1-3H3.
What are the key properties of 5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane?
5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane has a molecular weight of 204.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane is sourced from PubChem (CID 123956771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).