octacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane

C17H20 — CID 20665315

IUPACoctacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane
SMILESC1CC2C1C1C2C2C1C1C3CC4CC5C2C1C435
InChIInChI=1S/C17H20/c1-2-7-6(1)10-11(7)15-13-9-4-5-3-8-12(14(10)15)16(13)17(5,8)9/h5-16H,1-4H2
InChIKeySRSNIJDIAJYEDY-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.04
Rot. Bonds

About octacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane

octacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane (PubChem CID 20665315) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is octacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane.

Molecular Properties

Compound Nameoctacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane
PubChem CID20665315
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Nameoctacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane
SMILESC1CC2C1C1C2C2C1C1C3CC4CC5C2C1C435
InChIInChI=1S/C17H20/c1-2-7-6(1)10-11(7)15-13-9-4-5-3-8-12(14(10)15)16(13)17(5,8)9/h5-16H,1-4H2
InChIKeySRSNIJDIAJYEDY-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of octacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane?
The IUPAC name of octacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane (CID 20665315) is octacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane.
What is the SMILES notation for octacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane?
The canonical SMILES for octacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane is C1CC2C1C1C2C2C1C1C3CC4CC5C2C1C435.
What is the InChIKey of octacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane?
The InChIKey is SRSNIJDIAJYEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-2-7-6(1)10-11(7)15-13-9-4-5-3-8-12(14(10)15)16(13)17(5,8)9/h5-16H,1-4H2.
What are the key properties of octacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane?
octacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane has a molecular weight of 224.35 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane is sourced from PubChem (CID 20665315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).