4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane

C16H26O — CID 90005074

IUPAC4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCCOC1(CC)CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C16H26O/c1-3-16(17-4-2)9-12-8-13(16)15-11-6-5-10(7-11)14(12)15/h10-15H,3-9H2,1-2H3
InChIKeyOKEBPQIERREYAU-UHFFFAOYSA-N
MW234.38 g/mol
LogP3.87
Rot. Bonds3

About 4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane

4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 90005074) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID90005074
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCCOC1(CC)CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C16H26O/c1-3-16(17-4-2)9-12-8-13(16)15-11-6-5-10(7-11)14(12)15/h10-15H,3-9H2,1-2H3
InChIKeyOKEBPQIERREYAU-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane (CID 90005074) is 4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane is CCOC1(CC)CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of 4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is OKEBPQIERREYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-3-16(17-4-2)9-12-8-13(16)15-11-6-5-10(7-11)14(12)15/h10-15H,3-9H2,1-2H3.
What are the key properties of 4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane?
4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 234.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 90005074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).