2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol

C14H24O3S2 — CID 115386175

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol
SMILESCC1SCCSC1C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H24O3S2/c1-10-13(19-7-6-18-10)12(15)11-2-4-17-14(8-11)3-5-16-9-14/h10-13,15H,2-9H2,1H3
InChIKeyACGMHQWEVFZKRN-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.17
Rot. Bonds2

About 2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol

2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol (PubChem CID 115386175) has the molecular formula C14H24O3S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol
PubChem CID115386175
Molecular FormulaC14H24O3S2
Molecular Weight304.48 g/mol
Exact Mass304.12
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol
SMILESCC1SCCSC1C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H24O3S2/c1-10-13(19-7-6-18-10)12(15)11-2-4-17-14(8-11)3-5-16-9-14/h10-13,15H,2-9H2,1H3
InChIKeyACGMHQWEVFZKRN-UHFFFAOYSA-N
XLogP2.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
[1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259501
2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol
CID 79913506
1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol
CID 80622914
(2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 107192711
(2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 107192712
cyclohex-3-en-1-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913757
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol
CID 103459636
2-(dimethylamino)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpropan-1-ol
CID 79921502
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol
CID 114200597
1,9-dioxaspiro[5.5]undecan-4-yl(1,4-oxathian-2-yl)methanol
CID 79963284

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol (CID 115386175) is 2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol is CC1SCCSC1C(O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol?
The InChIKey is ACGMHQWEVFZKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S2/c1-10-13(19-7-6-18-10)12(15)11-2-4-17-14(8-11)3-5-16-9-14/h10-13,15H,2-9H2,1H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol?
2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol has a molecular weight of 304.48 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol is sourced from PubChem (CID 115386175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).