2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol

C13H24O2S — CID 79912701

IUPAC2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
SMILESCCC(C)C(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H24O2S/c1-3-10(2)12(14)11-4-6-15-13(8-11)5-7-16-9-13/h10-12,14H,3-9H2,1-2H3
InChIKeyOYIHKEQTLPCCHA-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.70
Rot. Bonds3

About 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol

2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol (PubChem CID 79912701) has the molecular formula C13H24O2S and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
PubChem CID79912701
Molecular FormulaC13H24O2S
Molecular Weight244.40 g/mol
Exact Mass244.15
IUPAC Name2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
SMILESCCC(C)C(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H24O2S/c1-3-10(2)12(14)11-4-6-15-13(8-11)5-7-16-9-13/h10-12,14H,3-9H2,1-2H3
InChIKeyOYIHKEQTLPCCHA-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentane-1,2-diol
CID 103459601
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-2-one
CID 79893882
2-(aminomethyl)-3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol
CID 107443240
2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
CID 103449203
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170685
2,2-diethoxy-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79911289
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
1-[hydroxy(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452227
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79915157
N,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914209
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106830971

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol?
The IUPAC name of 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol (CID 79912701) is 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol?
The canonical SMILES for 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol is CCC(C)C(O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol?
The InChIKey is OYIHKEQTLPCCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2S/c1-3-10(2)12(14)11-4-6-15-13(8-11)5-7-16-9-13/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol?
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol has a molecular weight of 244.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-ol is sourced from PubChem (CID 79912701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).