pentacyclo[9.5.1.13,9.15,15.17,13]icosane

C20H32 — CID 86001136

IUPACpentacyclo[9.5.1.13,9.15,15.17,13]icosane
SMILESC1C2CC3CC4CC1CC1CC(C2)CC(C3)CC(C4)C1
InChIInChI=1S/C20H32/c1-13-2-15-6-17-4-14(1)5-18-7-16(3-13)9-19(8-15)12-20(10-17)11-18/h13-20H,1-12H2
InChIKeyLFUSVBWBXRDDCM-UHFFFAOYSA-N
MW272.48 g/mol
LogP5.67
Rot. Bonds

About pentacyclo[9.5.1.13,9.15,15.17,13]icosane

pentacyclo[9.5.1.13,9.15,15.17,13]icosane (PubChem CID 86001136) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is pentacyclo[9.5.1.13,9.15,15.17,13]icosane.

Molecular Properties

Compound Namepentacyclo[9.5.1.13,9.15,15.17,13]icosane
PubChem CID86001136
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Namepentacyclo[9.5.1.13,9.15,15.17,13]icosane
SMILESC1C2CC3CC4CC1CC1CC(C2)CC(C3)CC(C4)C1
InChIInChI=1S/C20H32/c1-13-2-15-6-17-4-14(1)5-18-7-16(3-13)9-19(8-15)12-20(10-17)11-18/h13-20H,1-12H2
InChIKeyLFUSVBWBXRDDCM-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[9.5.1.13,9.15,15.17,13]icosane?
The IUPAC name of pentacyclo[9.5.1.13,9.15,15.17,13]icosane (CID 86001136) is pentacyclo[9.5.1.13,9.15,15.17,13]icosane.
What is the SMILES notation for pentacyclo[9.5.1.13,9.15,15.17,13]icosane?
The canonical SMILES for pentacyclo[9.5.1.13,9.15,15.17,13]icosane is C1C2CC3CC4CC1CC1CC(C2)CC(C3)CC(C4)C1.
What is the InChIKey of pentacyclo[9.5.1.13,9.15,15.17,13]icosane?
The InChIKey is LFUSVBWBXRDDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-13-2-15-6-17-4-14(1)5-18-7-16(3-13)9-19(8-15)12-20(10-17)11-18/h13-20H,1-12H2.
What are the key properties of pentacyclo[9.5.1.13,9.15,15.17,13]icosane?
pentacyclo[9.5.1.13,9.15,15.17,13]icosane has a molecular weight of 272.48 g/mol, XLogP of 5.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[9.5.1.13,9.15,15.17,13]icosane is sourced from PubChem (CID 86001136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).