2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol

C14H26O3S — CID 103449203

IUPAC2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
SMILESCCC(O)(CC)C(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H26O3S/c1-3-14(16,4-2)12(15)11-5-7-17-13(9-11)6-8-18-10-13/h11-12,15-16H,3-10H2,1-2H3
InChIKeyYRRQOHAFIHZXBD-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.20
Rot. Bonds4

About 2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol

2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol (PubChem CID 103449203) has the molecular formula C14H26O3S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol.

Molecular Properties

Compound Name2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
PubChem CID103449203
Molecular FormulaC14H26O3S
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
SMILESCCC(O)(CC)C(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H26O3S/c1-3-14(16,4-2)12(15)11-5-7-17-13(9-11)6-8-18-10-13/h11-12,15-16H,3-10H2,1-2H3
InChIKeyYRRQOHAFIHZXBD-UHFFFAOYSA-N
XLogP2.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79910778
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-one
CID 79893882
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 79912701
3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol
CID 103459601
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
2-ethyl-2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 116760457
2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 116726119
2-ethoxy-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 116758405
2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 107443240
N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79911407
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106830971
1-[hydroxy(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452227

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol?
The IUPAC name of 2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol (CID 103449203) is 2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol.
What is the SMILES notation for 2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol?
The canonical SMILES for 2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol is CCC(O)(CC)C(O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol?
The InChIKey is YRRQOHAFIHZXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3S/c1-3-14(16,4-2)12(15)11-5-7-17-13(9-11)6-8-18-10-13/h11-12,15-16H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol?
2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol has a molecular weight of 274.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol is sourced from PubChem (CID 103449203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).