(1S)-2-ethoxytricyclo[3.3.1.03,7]nonane

C11H18O — CID 89346237

IUPAC(1S)-2-ethoxytricyclo[3.3.1.03,7]nonane
SMILESCCOC1C2CC3CC2C[C@@H]1C3
InChIInChI=1S/C11H18O/c1-2-12-11-9-4-7-3-8(6-9)10(11)5-7/h7-11H,2-6H2,1H3/t7?,8?,9-,10?,11?/m0/s1
InChIKeyWHSFQBPYYDIIEE-PHTNZYORSA-N
MW166.26 g/mol
LogP2.46
Rot. Bonds2

About (1S)-2-ethoxytricyclo[3.3.1.03,7]nonane

(1S)-2-ethoxytricyclo[3.3.1.03,7]nonane (PubChem CID 89346237) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1S)-2-ethoxytricyclo[3.3.1.03,7]nonane.

Molecular Properties

Compound Name(1S)-2-ethoxytricyclo[3.3.1.03,7]nonane
PubChem CID89346237
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1S)-2-ethoxytricyclo[3.3.1.03,7]nonane
SMILESCCOC1C2CC3CC2C[C@@H]1C3
InChIInChI=1S/C11H18O/c1-2-12-11-9-4-7-3-8(6-9)10(11)5-7/h7-11H,2-6H2,1H3/t7?,8?,9-,10?,11?/m0/s1
InChIKeyWHSFQBPYYDIIEE-PHTNZYORSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-ethoxytricyclo[3.3.1.03,7]nonane?
The IUPAC name of (1S)-2-ethoxytricyclo[3.3.1.03,7]nonane (CID 89346237) is (1S)-2-ethoxytricyclo[3.3.1.03,7]nonane.
What is the SMILES notation for (1S)-2-ethoxytricyclo[3.3.1.03,7]nonane?
The canonical SMILES for (1S)-2-ethoxytricyclo[3.3.1.03,7]nonane is CCOC1C2CC3CC2C[C@@H]1C3.
What is the InChIKey of (1S)-2-ethoxytricyclo[3.3.1.03,7]nonane?
The InChIKey is WHSFQBPYYDIIEE-PHTNZYORSA-N. The full InChI is InChI=1S/C11H18O/c1-2-12-11-9-4-7-3-8(6-9)10(11)5-7/h7-11H,2-6H2,1H3/t7?,8?,9-,10?,11?/m0/s1.
What are the key properties of (1S)-2-ethoxytricyclo[3.3.1.03,7]nonane?
(1S)-2-ethoxytricyclo[3.3.1.03,7]nonane has a molecular weight of 166.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-ethoxytricyclo[3.3.1.03,7]nonane is sourced from PubChem (CID 89346237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).