octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane

C20H26 — CID 54326568

IUPACoctacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane
SMILESC1CC2C1C1CC3C(CC21)C1C3C2C3C4CCC4C3C12
InChIInChI=1S/C20H26/c1-2-8-7(1)11-5-13-14(6-12(8)11)18-17(13)19-15-9-3-4-10(9)16(15)20(18)19/h7-20H,1-6H2
InChIKeySVJDYHLAFUHYBF-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.06
Rot. Bonds

About octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane

octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane (PubChem CID 54326568) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane.

Molecular Properties

Compound Nameoctacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane
PubChem CID54326568
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Nameoctacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane
SMILESC1CC2C1C1CC3C(CC21)C1C3C2C3C4CCC4C3C12
InChIInChI=1S/C20H26/c1-2-8-7(1)11-5-13-14(6-12(8)11)18-17(13)19-15-9-3-4-10(9)16(15)20(18)19/h7-20H,1-6H2
InChIKeySVJDYHLAFUHYBF-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane?
The IUPAC name of octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane (CID 54326568) is octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane.
What is the SMILES notation for octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane?
The canonical SMILES for octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane is C1CC2C1C1CC3C(CC21)C1C3C2C3C4CCC4C3C12.
What is the InChIKey of octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane?
The InChIKey is SVJDYHLAFUHYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-2-8-7(1)11-5-13-14(6-12(8)11)18-17(13)19-15-9-3-4-10(9)16(15)20(18)19/h7-20H,1-6H2.
What are the key properties of octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane?
octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane has a molecular weight of 266.43 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane is sourced from PubChem (CID 54326568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).