9-ethyl-8,12-dimethyl-14-propyltetracyclo[8.4.0.02,6.04,14]tetradecane

C21H36 — CID 91017875

IUPAC9-ethyl-8,12-dimethyl-14-propyltetracyclo[8.4.0.02,6.04,14]tetradecane
SMILESCCCC12CC(C)CC3C(CC)C(C)CC4CC1CC4C32
InChIInChI=1S/C21H36/c1-5-7-21-12-13(3)8-19-17(6-2)14(4)9-15-10-16(21)11-18(15)20(19)21/h13-20H,5-12H2,1-4H3
InChIKeyJHBMASLBOHLXSN-UHFFFAOYSA-N
MW288.52 g/mol
LogP6.16
Rot. Bonds3

About 9-ethyl-8,12-dimethyl-14-propyltetracyclo[8.4.0.02,6.04,14]tetradecane

9-ethyl-8,12-dimethyl-14-propyltetracyclo[8.4.0.02,6.04,14]tetradecane (PubChem CID 91017875) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is 9-ethyl-8,12-dimethyl-14-propyltetracyclo[8.4.0.02,6.04,14]tetradecane.

Molecular Properties

Compound Name9-ethyl-8,12-dimethyl-14-propyltetracyclo[8.4.0.02,6.04,14]tetradecane
PubChem CID91017875
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name9-ethyl-8,12-dimethyl-14-propyltetracyclo[8.4.0.02,6.04,14]tetradecane
SMILESCCCC12CC(C)CC3C(CC)C(C)CC4CC1CC4C32
InChIInChI=1S/C21H36/c1-5-7-21-12-13(3)8-19-17(6-2)14(4)9-15-10-16(21)11-18(15)20(19)21/h13-20H,5-12H2,1-4H3
InChIKeyJHBMASLBOHLXSN-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-8,12-dimethyl-14-propyltetracyclo[8.4.0.02,6.04,14]tetradecane?
The IUPAC name of 9-ethyl-8,12-dimethyl-14-propyltetracyclo[8.4.0.02,6.04,14]tetradecane (CID 91017875) is 9-ethyl-8,12-dimethyl-14-propyltetracyclo[8.4.0.02,6.04,14]tetradecane.
What is the SMILES notation for 9-ethyl-8,12-dimethyl-14-propyltetracyclo[8.4.0.02,6.04,14]tetradecane?
The canonical SMILES for 9-ethyl-8,12-dimethyl-14-propyltetracyclo[8.4.0.02,6.04,14]tetradecane is CCCC12CC(C)CC3C(CC)C(C)CC4CC1CC4C32.
What is the InChIKey of 9-ethyl-8,12-dimethyl-14-propyltetracyclo[8.4.0.02,6.04,14]tetradecane?
The InChIKey is JHBMASLBOHLXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36/c1-5-7-21-12-13(3)8-19-17(6-2)14(4)9-15-10-16(21)11-18(15)20(19)21/h13-20H,5-12H2,1-4H3.
What are the key properties of 9-ethyl-8,12-dimethyl-14-propyltetracyclo[8.4.0.02,6.04,14]tetradecane?
9-ethyl-8,12-dimethyl-14-propyltetracyclo[8.4.0.02,6.04,14]tetradecane has a molecular weight of 288.52 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-8,12-dimethyl-14-propyltetracyclo[8.4.0.02,6.04,14]tetradecane is sourced from PubChem (CID 91017875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).