1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol

C17H31NO3 — CID 79910779

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)C1CCOC2(CCOC2)C1)N1CCCC1
InChIInChI=1S/C17H31NO3/c1-3-16(2,18-8-4-5-9-18)15(19)14-6-10-21-17(12-14)7-11-20-13-17/h14-15,19H,3-13H2,1-2H3
InChIKeyGEOXBUNQDBLWND-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.20
Rot. Bonds4

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol (PubChem CID 79910779) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
PubChem CID79910779
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(C)(C(O)C1CCOC2(CCOC2)C1)N1CCCC1
InChIInChI=1S/C17H31NO3/c1-3-16(2,18-8-4-5-9-18)15(19)14-6-10-21-17(12-14)7-11-20-13-17/h14-15,19H,3-13H2,1-2H3
InChIKeyGEOXBUNQDBLWND-UHFFFAOYSA-N
XLogP2.20
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol with MolForge

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Related Compounds

2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol
CID 79065730
2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol
CID 79921502
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylbutan-1-amine
CID 79906978
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol
CID 79921673
2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79920933
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79921120
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol
CID 116713568
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol
CID 103459636
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752395
1-cyclohexyl-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 79065772
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,5,5-trimethylhexan-1-ol
CID 115823302
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol (CID 79910779) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol is CCC(C)(C(O)C1CCOC2(CCOC2)C1)N1CCCC1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is GEOXBUNQDBLWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-3-16(2,18-8-4-5-9-18)15(19)14-6-10-21-17(12-14)7-11-20-13-17/h14-15,19H,3-13H2,1-2H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol has a molecular weight of 297.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol is sourced from PubChem (CID 79910779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).