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

C14H24O4S — CID 79963284

IUPAC1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol
SMILESOC(C1CCOC2(CCOCC2)C1)C1CSCCO1
InChIInChI=1S/C14H24O4S/c15-13(12-10-19-8-7-17-12)11-1-4-18-14(9-11)2-5-16-6-3-14/h11-13,15H,1-10H2
InChIKeyWREXINAFHZMGJT-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.46
Rot. Bonds2

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

1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol (PubChem CID 79963284) has the molecular formula C14H24O4S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol
PubChem CID79963284
Molecular FormulaC14H24O4S
Molecular Weight288.41 g/mol
Exact Mass288.14
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol
SMILESOC(C1CCOC2(CCOCC2)C1)C1CSCCO1
InChIInChI=1S/C14H24O4S/c15-13(12-10-19-8-7-17-12)11-1-4-18-14(9-11)2-5-16-6-3-14/h11-13,15H,1-10H2
InChIKeyWREXINAFHZMGJT-UHFFFAOYSA-N
XLogP1.46
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79962909
1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol
CID 115820899
1,4-oxathian-2-yl(oxolan-3-yl)methanol
CID 79963788
[1,4-oxathian-2-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105249551
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146
1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol
CID 80622914
6-oxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanol
CID 79922211
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol
CID 115386175
2-amino-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanol
CID 79923333
6-oxa-2-thiaspiro[4.5]decan-9-yl-(4-propan-2-ylmorpholin-2-yl)methanol
CID 79906629
(4-methylmorpholin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921218

Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol (CID 79963284) is 1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol is OC(C1CCOC2(CCOCC2)C1)C1CSCCO1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol?
The InChIKey is WREXINAFHZMGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4S/c15-13(12-10-19-8-7-17-12)11-1-4-18-14(9-11)2-5-16-6-3-14/h11-13,15H,1-10H2.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol?
1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol has a molecular weight of 288.41 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol is sourced from PubChem (CID 79963284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).