1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol

C15H26O4 — CID 115820899

IUPAC1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol
SMILESOC(C1CCOC2(CCOCC2)C1)C1CCCCO1
InChIInChI=1S/C15H26O4/c16-14(13-3-1-2-7-18-13)12-4-8-19-15(11-12)5-9-17-10-6-15/h12-14,16H,1-11H2
InChIKeyKHQPGCHPVAALBQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.89
Rot. Bonds2

About 1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol

1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol (PubChem CID 115820899) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol
PubChem CID115820899
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol
SMILESOC(C1CCOC2(CCOCC2)C1)C1CCCCO1
InChIInChI=1S/C15H26O4/c16-14(13-3-1-2-7-18-13)12-4-8-19-15(11-12)5-9-17-10-6-15/h12-14,16H,1-11H2
InChIKeyKHQPGCHPVAALBQ-UHFFFAOYSA-N
XLogP1.89
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanol
CID 79922211
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146
1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol
CID 79963284
1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol
CID 80622914
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 79911771
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192
2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine
CID 79910992
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol
CID 79913378
1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol
CID 103451663
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354

Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol (CID 115820899) is 1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol is OC(C1CCOC2(CCOCC2)C1)C1CCCCO1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol?
The InChIKey is KHQPGCHPVAALBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c16-14(13-3-1-2-7-18-13)12-4-8-19-15(11-12)5-9-17-10-6-15/h12-14,16H,1-11H2.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol?
1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol has a molecular weight of 270.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol is sourced from PubChem (CID 115820899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).