1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol

C13H24O4 — CID 79921673

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol
SMILESCOC(C)(C)C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H24O4/c1-12(2,15-3)11(14)10-4-6-17-13(8-10)5-7-16-9-13/h10-11,14H,4-9H2,1-3H3
InChIKeyQREPWYMLZBBCIN-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.36
Rot. Bonds3

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol (PubChem CID 79921673) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol
PubChem CID79921673
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol
SMILESCOC(C)(C)C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H24O4/c1-12(2,15-3)11(14)10-4-6-17-13(8-10)5-7-16-9-13/h10-11,14H,4-9H2,1-3H3
InChIKeyQREPWYMLZBBCIN-UHFFFAOYSA-N
XLogP1.36
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol
CID 79921502
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol
CID 116713568
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine
CID 79911538
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79910779
2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol
CID 116753294
2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754417
methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
CID 79905755
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,5,5-trimethylhexan-1-ol
CID 115823302
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028615
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine
CID 79914724
2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol
CID 79913506

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol (CID 79921673) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol is COC(C)(C)C(O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol?
The InChIKey is QREPWYMLZBBCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-12(2,15-3)11(14)10-4-6-17-13(8-10)5-7-16-9-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol has a molecular weight of 244.33 g/mol, XLogP of 1.36, 3 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-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 79921673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).