(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol

C11H20O2 — CID 95396494

IUPAC(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol
SMILESCCO[C@@H]1C[C@H](O)C12CCCCC2
InChIInChI=1S/C11H20O2/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11/h9-10,12H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyXNSLECDIDNVTEC-VHSXEESVSA-N
MW184.28 g/mol
LogP2.11
Rot. Bonds2

About (1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol

(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol (PubChem CID 95396494) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol
PubChem CID95396494
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol
SMILESCCO[C@@H]1C[C@H](O)C12CCCCC2
InChIInChI=1S/C11H20O2/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11/h9-10,12H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyXNSLECDIDNVTEC-VHSXEESVSA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol
CID 97300110
(1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol
CID 97300107
(1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 95396425
3-(3-methylbutoxy)spiro[3.4]octan-1-ol
CID 66367928
(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine
CID 95566836
(1-aminocyclopentyl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119367
(1-aminocyclopentyl)-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119364
1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 111457366
3-bromo-1-ethoxyspiro[3.4]octane
CID 66346132
3-pentan-2-yloxyspiro[3.5]nonan-1-ol
CID 102988636
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol?
The IUPAC name of (1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol (CID 95396494) is (1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol?
The canonical SMILES for (1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol is CCO[C@@H]1C[C@H](O)C12CCCCC2.
What is the InChIKey of (1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol?
The InChIKey is XNSLECDIDNVTEC-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-13-10-8-9(12)11(10)6-4-3-5-7-11/h9-10,12H,2-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol?
(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol is sourced from PubChem (CID 95396494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).