3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol

C13H22O2 — CID 149051816

IUPAC3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol
SMILESCCOC1CC2CC3CCC1C(O)(C3)C2
InChIInChI=1S/C13H22O2/c1-2-15-12-6-10-5-9-3-4-11(12)13(14,7-9)8-10/h9-12,14H,2-8H2,1H3
InChIKeyQJYVGOPVNDWPEL-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.35
Rot. Bonds2

About 3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol

3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol (PubChem CID 149051816) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol.

Molecular Properties

Compound Name3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol
PubChem CID149051816
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol
SMILESCCOC1CC2CC3CCC1C(O)(C3)C2
InChIInChI=1S/C13H22O2/c1-2-15-12-6-10-5-9-3-4-11(12)13(14,7-9)8-10/h9-12,14H,2-8H2,1H3
InChIKeyQJYVGOPVNDWPEL-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol?
The IUPAC name of 3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol (CID 149051816) is 3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol.
What is the SMILES notation for 3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol?
The canonical SMILES for 3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol is CCOC1CC2CC3CCC1C(O)(C3)C2.
What is the InChIKey of 3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol?
The InChIKey is QJYVGOPVNDWPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-15-12-6-10-5-9-3-4-11(12)13(14,7-9)8-10/h9-12,14H,2-8H2,1H3.
What are the key properties of 3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol?
3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol has a molecular weight of 210.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxytricyclo[5.3.1.04,9]undecan-9-ol is sourced from PubChem (CID 149051816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).