(7,9-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol

C10H18O3S — CID 20734174

IUPAC(7,9-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol
SMILESCC1CC2(CC(C)S1)OCC(CO)O2
InChIInChI=1S/C10H18O3S/c1-7-3-10(4-8(2)14-7)12-6-9(5-11)13-10/h7-9,11H,3-6H2,1-2H3
InChIKeyDSQPXCYCWFTTTH-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.39
Rot. Bonds1

About (7,9-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol

(7,9-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol (PubChem CID 20734174) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is (7,9-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol.

Molecular Properties

Compound Name(7,9-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol
PubChem CID20734174
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name(7,9-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol
SMILESCC1CC2(CC(C)S1)OCC(CO)O2
InChIInChI=1S/C10H18O3S/c1-7-3-10(4-8(2)14-7)12-6-9(5-11)13-10/h7-9,11H,3-6H2,1-2H3
InChIKeyDSQPXCYCWFTTTH-UHFFFAOYSA-N
XLogP1.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4S,5S)-2-(hexylsulfanylmethyl)-5-methoxyoxolane-3,4-diol
CID 24768571
(2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol
CID 25022417
(2S,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol
CID 25022418
(2S,3S,4S,5R)-2-(hexylsulfanylmethyl)-5-methoxyoxolane-3,4-diol
CID 44576720
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propan-1-ol
CID 10858905
(1S)-1-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]propan-1-ol
CID 14444541
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithian-2-yl)ethanol
CID 14604460
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol
CID 14604461
(1S,2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethane-1,2-diol
CID 101684964
(1S)-3-deuterio-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propan-1-ol
CID 134929672
(1S)-2-deuterio-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propan-1-ol
CID 134929673
(1S)-2,3-dideuterio-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propan-1-ol
CID 134929749

Frequently Asked Questions

What is the IUPAC name of (7,9-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol?
The IUPAC name of (7,9-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol (CID 20734174) is (7,9-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol.
What is the SMILES notation for (7,9-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol?
The canonical SMILES for (7,9-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol is CC1CC2(CC(C)S1)OCC(CO)O2.
What is the InChIKey of (7,9-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol?
The InChIKey is DSQPXCYCWFTTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-7-3-10(4-8(2)14-7)12-6-9(5-11)13-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of (7,9-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol?
(7,9-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol has a molecular weight of 218.32 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7,9-dimethyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol is sourced from PubChem (CID 20734174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).