2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol

C10H18O3S — CID 43502520

IUPAC2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol
SMILESOCCSCC1COC2(CCCC2)O1
InChIInChI=1S/C10H18O3S/c11-5-6-14-8-9-7-12-10(13-9)3-1-2-4-10/h9,11H,1-8H2
InChIKeyWVSYZBLHGKAGQU-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.40
Rot. Bonds4

About 2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol

2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol (PubChem CID 43502520) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol
PubChem CID43502520
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol
SMILESOCCSCC1COC2(CCCC2)O1
InChIInChI=1S/C10H18O3S/c11-5-6-14-8-9-7-12-10(13-9)3-1-2-4-10/h9,11H,1-8H2
InChIKeyWVSYZBLHGKAGQU-UHFFFAOYSA-N
XLogP1.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol with MolForge

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Related Compounds

1,4-Dioxa-7-thiaspiro[4.4]nonan-6-ylmethanol
CID 21276500
2-(1,4-Dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)acetic acid
CID 43169802
3-(1,4-Dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)-2-methylpropan-1-ol
CID 66103378
3-(1,4-Dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)propan-1-ol
CID 66127429
3-(1,4-Dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)butan-1-ol
CID 66137500
3-(1,4-Dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)propane-1,2-diol
CID 79683315
2-(1,4-Dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)propan-1-ol
CID 104086899
3-(1,4-Dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)butan-2-ol
CID 107771198
2-[2-(Thiolan-2-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168837
2-[2-Methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168839
[2-Methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol
CID 117168917
2-(Oxolan-2-ylmethylsulfanylmethyl)-1,3-dioxolane
CID 131154467

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol?
The IUPAC name of 2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol (CID 43502520) is 2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol?
The canonical SMILES for 2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol is OCCSCC1COC2(CCCC2)O1.
What is the InChIKey of 2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol?
The InChIKey is WVSYZBLHGKAGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c11-5-6-14-8-9-7-12-10(13-9)3-1-2-4-10/h9,11H,1-8H2.
What are the key properties of 2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol?
2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol has a molecular weight of 218.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.4]nonan-3-ylmethylsulfanyl)ethanol is sourced from PubChem (CID 43502520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).