4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane

C22H24 — CID 14265364

IUPAC4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane
SMILESC=CC12C3C4CC5C6C7CC3C3C7C7C6C6C5C4C1C6C7C32
InChIInChI=1S/C22H24/c1-2-22-19-7-3-5-9-6-4-8(19)13-11(6)16-14(9)15-10(5)12(7)20(22)17(15)18(16)21(13)22/h2,5-21H,1,3-4H2
InChIKeyFVZSEHVQUPMZEU-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.55
Rot. Bonds1

About 4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane

4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane (PubChem CID 14265364) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane.

Molecular Properties

Compound Name4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane
PubChem CID14265364
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane
SMILESC=CC12C3C4CC5C6C7CC3C3C7C7C6C6C5C4C1C6C7C32
InChIInChI=1S/C22H24/c1-2-22-19-7-3-5-9-6-4-8(19)13-11(6)16-14(9)15-10(5)12(7)20(22)17(15)18(16)21(13)22/h2,5-21H,1,3-4H2
InChIKeyFVZSEHVQUPMZEU-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane?
The IUPAC name of 4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane (CID 14265364) is 4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane.
What is the SMILES notation for 4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane?
The canonical SMILES for 4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane is C=CC12C3C4CC5C6C7CC3C3C7C7C6C6C5C4C1C6C7C32.
What is the InChIKey of 4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane?
The InChIKey is FVZSEHVQUPMZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24/c1-2-22-19-7-3-5-9-6-4-8(19)13-11(6)16-14(9)15-10(5)12(7)20(22)17(15)18(16)21(13)22/h2,5-21H,1,3-4H2.
What are the key properties of 4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane?
4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane has a molecular weight of 288.43 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyldecacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosane is sourced from PubChem (CID 14265364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).