(1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol

C10H18O3 — CID 97300107

IUPAC(1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol
SMILESCCO[C@@H]1C[C@H](O)C12CCOCC2
InChIInChI=1S/C10H18O3/c1-2-13-9-7-8(11)10(9)3-5-12-6-4-10/h8-9,11H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyCHKDSMZFHOZVDI-DTWKUNHWSA-N
MW186.25 g/mol
LogP0.95
Rot. Bonds2

About (1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol

(1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol (PubChem CID 97300107) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol
PubChem CID97300107
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol
SMILESCCO[C@@H]1C[C@H](O)C12CCOCC2
InChIInChI=1S/C10H18O3/c1-2-13-9-7-8(11)10(9)3-5-12-6-4-10/h8-9,11H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyCHKDSMZFHOZVDI-DTWKUNHWSA-N
XLogP0.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol
CID 97300110
(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol
CID 95396494
(1R,3S)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 95396425
(1R,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 124736554
(1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 124736555
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 111456794
(1R,3R)-3-ethoxy-7-[2-[(2R)-oxolan-2-yl]ethyl]-7-azaspiro[3.5]nonan-1-ol
CID 124829652
3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
CID 122010375
3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 120501516
cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol
CID 95240890
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 111456860
4-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)benzonitrile
CID 86777838

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol?
The IUPAC name of (1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol (CID 97300107) is (1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol is CCO[C@@H]1C[C@H](O)C12CCOCC2.
What is the InChIKey of (1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol?
The InChIKey is CHKDSMZFHOZVDI-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-13-9-7-8(11)10(9)3-5-12-6-4-10/h8-9,11H,2-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol?
(1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol has a molecular weight of 186.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 97300107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).