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

C15H26O3S — CID 80622914

IUPAC1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol
SMILESOC(C1CCOC2(CCOCC2)C1)C1CCCCS1
InChIInChI=1S/C15H26O3S/c16-14(13-3-1-2-10-19-13)12-4-7-18-15(11-12)5-8-17-9-6-15/h12-14,16H,1-11H2
InChIKeyQDQKHHYJTULWPA-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.61
Rot. Bonds2

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

1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol (PubChem CID 80622914) has the molecular formula C15H26O3S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol
PubChem CID80622914
Molecular FormulaC15H26O3S
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol
SMILESOC(C1CCOC2(CCOCC2)C1)C1CCCCS1
InChIInChI=1S/C15H26O3S/c16-14(13-3-1-2-10-19-13)12-4-7-18-15(11-12)5-8-17-9-6-15/h12-14,16H,1-11H2
InChIKeyQDQKHHYJTULWPA-UHFFFAOYSA-N
XLogP2.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(thian-2-yl)methanamine
CID 80627564
cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79913146
1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol
CID 115820899
2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol
CID 115386175
1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol
CID 79963284
N-[1,9-dioxaspiro[5.5]undecan-4-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80621542
(3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113299386
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192
(5,6-dimethyl-1,4-dithian-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 103345120
1,9-dioxaspiro[5.5]undecan-4-yl-(2-methylthiolan-2-yl)methanol
CID 105113937
N-[6-oxaspiro[4.5]decan-9-yl(thian-2-yl)methyl]ethanamine
CID 80626187

Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol (CID 80622914) is 1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol is OC(C1CCOC2(CCOCC2)C1)C1CCCCS1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol?
The InChIKey is QDQKHHYJTULWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3S/c16-14(13-3-1-2-10-19-13)12-4-7-18-15(11-12)5-8-17-9-6-15/h12-14,16H,1-11H2.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol?
1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol has a molecular weight of 286.44 g/mol, XLogP of 2.61, 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(thian-2-yl)methanol is sourced from PubChem (CID 80622914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).