3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol

C15H28O3S — CID 103027641

IUPAC3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol
SMILESCOC(C)(C)CC(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H28O3S/c1-14(2,17-3)11-13(16)12-4-7-18-15(10-12)5-8-19-9-6-15/h12-13,16H,4-11H2,1-3H3
InChIKeyIDLDMSHJCRTHAX-UHFFFAOYSA-N
MW288.45 g/mol
LogP2.85
Rot. Bonds4

About 3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol

3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol (PubChem CID 103027641) has the molecular formula C15H28O3S and a molecular weight of 288.45 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol
PubChem CID103027641
Molecular FormulaC15H28O3S
Molecular Weight288.45 g/mol
Exact Mass288.18
IUPAC Name3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol
SMILESCOC(C)(C)CC(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H28O3S/c1-14(2,17-3)11-13(16)12-4-7-18-15(10-12)5-8-19-9-6-15/h12-13,16H,4-11H2,1-3H3
InChIKeyIDLDMSHJCRTHAX-UHFFFAOYSA-N
XLogP2.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
4,4,4-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol
CID 79954233
3-(dimethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-ol
CID 113291179
2-ethylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79921924
2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79924056
2-methoxy-N,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79911973
(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115823537
methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate
CID 79913062
[2-methoxy-2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butyl]hydrazine
CID 105274344
(1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 113404900
[2-ethoxy-2-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine
CID 105273997
(3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 79913976

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol?
The IUPAC name of 3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol (CID 103027641) is 3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol.
What is the SMILES notation for 3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol?
The canonical SMILES for 3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol is COC(C)(C)CC(O)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol?
The InChIKey is IDLDMSHJCRTHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3S/c1-14(2,17-3)11-13(16)12-4-7-18-15(10-12)5-8-19-9-6-15/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol?
3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol has a molecular weight of 288.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol is sourced from PubChem (CID 103027641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).