3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol

C13H24O3 — CID 116502606

IUPAC3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
SMILESCOCC(C)C(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H24O3/c1-10(9-15-2)12(14)11-4-7-16-13(8-11)5-3-6-13/h10-12,14H,3-9H2,1-2H3
InChIKeyPJKGCYCEOBOZGO-UHFFFAOYSA-N
MW228.33 g/mol
LogP1.98
Rot. Bonds4

About 3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol

3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol (PubChem CID 116502606) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
PubChem CID116502606
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
SMILESCOCC(C)C(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H24O3/c1-10(9-15-2)12(14)11-4-7-16-13(8-11)5-3-6-13/h10-12,14H,3-9H2,1-2H3
InChIKeyPJKGCYCEOBOZGO-UHFFFAOYSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 115819806
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-ol
CID 79913855
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 105166209
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
CID 103454715
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol
CID 105113903
2-(2-methoxyethylamino)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79923585
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol
CID 103459246
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol?
The IUPAC name of 3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol (CID 116502606) is 3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol.
What is the SMILES notation for 3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol?
The canonical SMILES for 3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol is COCC(C)C(O)C1CCOC2(CCC2)C1.
What is the InChIKey of 3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol?
The InChIKey is PJKGCYCEOBOZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-10(9-15-2)12(14)11-4-7-16-13(8-11)5-3-6-13/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol?
3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol has a molecular weight of 228.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol is sourced from PubChem (CID 116502606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).