3,6,9-triethyl-3,6,9-trimethyltetracyclo[6.1.0.02,4.05,7]nonane

C18H30 — CID 605179

IUPAC3,6,9-triethyl-3,6,9-trimethyltetracyclo[6.1.0.02,4.05,7]nonane
SMILESCCC1(C)C2C3C(C4C(C21)C4(C)CC)C3(C)CC
InChIInChI=1S/C18H30/c1-7-16(4)10-11(16)13-15(18(13,6)9-3)14-12(10)17(14,5)8-2/h10-15H,7-9H2,1-6H3
InChIKeyDZHLMBGZVCWBCF-UHFFFAOYSA-N
MW246.44 g/mol
LogP4.99
Rot. Bonds3

About 3,6,9-triethyl-3,6,9-trimethyltetracyclo[6.1.0.02,4.05,7]nonane

3,6,9-triethyl-3,6,9-trimethyltetracyclo[6.1.0.02,4.05,7]nonane (PubChem CID 605179) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 3,6,9-triethyl-3,6,9-trimethyltetracyclo[6.1.0.02,4.05,7]nonane.

Molecular Properties

Compound Name3,6,9-triethyl-3,6,9-trimethyltetracyclo[6.1.0.02,4.05,7]nonane
PubChem CID605179
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name3,6,9-triethyl-3,6,9-trimethyltetracyclo[6.1.0.02,4.05,7]nonane
SMILESCCC1(C)C2C3C(C4C(C21)C4(C)CC)C3(C)CC
InChIInChI=1S/C18H30/c1-7-16(4)10-11(16)13-15(18(13,6)9-3)14-12(10)17(14,5)8-2/h10-15H,7-9H2,1-6H3
InChIKeyDZHLMBGZVCWBCF-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,6,9-triethyl-3,6,9-trimethyltetracyclo[6.1.0.02,4.05,7]nonane?
The IUPAC name of 3,6,9-triethyl-3,6,9-trimethyltetracyclo[6.1.0.02,4.05,7]nonane (CID 605179) is 3,6,9-triethyl-3,6,9-trimethyltetracyclo[6.1.0.02,4.05,7]nonane.
What is the SMILES notation for 3,6,9-triethyl-3,6,9-trimethyltetracyclo[6.1.0.02,4.05,7]nonane?
The canonical SMILES for 3,6,9-triethyl-3,6,9-trimethyltetracyclo[6.1.0.02,4.05,7]nonane is CCC1(C)C2C3C(C4C(C21)C4(C)CC)C3(C)CC.
What is the InChIKey of 3,6,9-triethyl-3,6,9-trimethyltetracyclo[6.1.0.02,4.05,7]nonane?
The InChIKey is DZHLMBGZVCWBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-7-16(4)10-11(16)13-15(18(13,6)9-3)14-12(10)17(14,5)8-2/h10-15H,7-9H2,1-6H3.
What are the key properties of 3,6,9-triethyl-3,6,9-trimethyltetracyclo[6.1.0.02,4.05,7]nonane?
3,6,9-triethyl-3,6,9-trimethyltetracyclo[6.1.0.02,4.05,7]nonane has a molecular weight of 246.44 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9-triethyl-3,6,9-trimethyltetracyclo[6.1.0.02,4.05,7]nonane is sourced from PubChem (CID 605179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).