2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol

C14H24O3S — CID 79912378

IUPAC2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
SMILESCC1CC(O)(C2CCOC3(CCSC3)C2)CCO1
InChIInChI=1S/C14H24O3S/c1-11-8-14(15,3-6-16-11)12-2-5-17-13(9-12)4-7-18-10-13/h11-12,15H,2-10H2,1H3
InChIKeyUBUAGUABDXELPG-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.22
Rot. Bonds1

About 2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol

2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol (PubChem CID 79912378) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol.

Molecular Properties

Compound Name2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
PubChem CID79912378
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Name2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
SMILESCC1CC(O)(C2CCOC3(CCSC3)C2)CCO1
InChIInChI=1S/C14H24O3S/c1-11-8-14(15,3-6-16-11)12-2-5-17-13(9-12)4-7-18-10-13/h11-12,15H,2-10H2,1H3
InChIKeyUBUAGUABDXELPG-UHFFFAOYSA-N
XLogP2.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79900652
4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol
CID 79913693
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79913501
3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 79913687
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 79906886
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
CID 114240710
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol
CID 103983033
4,4-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79912723
1,3,3-trimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol
CID 115401248
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxolane-3-carboxylic acid
CID 79902944
9-(3-chloro-1-methylcyclopentyl)-6-oxa-2-thiaspiro[4.5]decane
CID 116540212
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine
CID 79912985

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol?
The IUPAC name of 2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol (CID 79912378) is 2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol.
What is the SMILES notation for 2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol?
The canonical SMILES for 2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol is CC1CC(O)(C2CCOC3(CCSC3)C2)CCO1.
What is the InChIKey of 2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol?
The InChIKey is UBUAGUABDXELPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S/c1-11-8-14(15,3-6-16-11)12-2-5-17-13(9-12)4-7-18-10-13/h11-12,15H,2-10H2,1H3.
What are the key properties of 2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol?
2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol has a molecular weight of 272.41 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol is sourced from PubChem (CID 79912378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).