nonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane

C19H22 — CID 20665314

IUPACnonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane
SMILESC1CC2C1C1C2C2C1C1C2C2C3CC4CC5C1C2C453
InChIInChI=1S/C19H22/c1-2-7-6(1)10-11(7)15-14(10)16-12-8-3-5-4-9-13(17(15)16)18(12)19(5,8)9/h5-18H,1-4H2
InChIKeyYFQUBGNUTIGWRP-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.28
Rot. Bonds

About nonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane

nonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane (PubChem CID 20665314) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is nonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane.

Molecular Properties

Compound Namenonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane
PubChem CID20665314
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Namenonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane
SMILESC1CC2C1C1C2C2C1C1C2C2C3CC4CC5C1C2C453
InChIInChI=1S/C19H22/c1-2-7-6(1)10-11(7)15-14(10)16-12-8-3-5-4-9-13(17(15)16)18(12)19(5,8)9/h5-18H,1-4H2
InChIKeyYFQUBGNUTIGWRP-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.28
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 nonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane?
The IUPAC name of nonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane (CID 20665314) is nonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane.
What is the SMILES notation for nonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane?
The canonical SMILES for nonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane is C1CC2C1C1C2C2C1C1C2C2C3CC4CC5C1C2C453.
What is the InChIKey of nonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane?
The InChIKey is YFQUBGNUTIGWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-2-7-6(1)10-11(7)15-14(10)16-12-8-3-5-4-9-13(17(15)16)18(12)19(5,8)9/h5-18H,1-4H2.
What are the key properties of nonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane?
nonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane has a molecular weight of 250.38 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane is sourced from PubChem (CID 20665314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).