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

C14H24O3S — CID 114240710

IUPAC3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
SMILESCC1COCCC1(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H24O3S/c1-11-9-16-6-3-14(11,15)12-2-5-17-13(8-12)4-7-18-10-13/h11-12,15H,2-10H2,1H3
InChIKeyGYZURCRMBSNEHC-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.08
Rot. Bonds1

About 3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol

3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol (PubChem CID 114240710) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is 3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol.

Molecular Properties

Compound Name3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
PubChem CID114240710
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Name3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
SMILESCC1COCCC1(O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H24O3S/c1-11-9-16-6-3-14(11,15)12-2-5-17-13(8-12)4-7-18-10-13/h11-12,15H,2-10H2,1H3
InChIKeyGYZURCRMBSNEHC-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79913501
4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol
CID 79913693
2-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
CID 79912378
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxolane-3-carboxylic acid
CID 79902944
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-propan-2-ylcyclohexan-1-ol
CID 79900652
1,3,3-trimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol
CID 115401248
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol
CID 103983033
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79898835
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine
CID 79912993
4,4-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79912723
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 79906886

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol?
The IUPAC name of 3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol (CID 114240710) is 3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol.
What is the SMILES notation for 3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol?
The canonical SMILES for 3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol is CC1COCCC1(O)C1CCOC2(CCSC2)C1.
What is the InChIKey of 3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol?
The InChIKey is GYZURCRMBSNEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S/c1-11-9-16-6-3-14(11,15)12-2-5-17-13(8-12)4-7-18-10-13/h11-12,15H,2-10H2,1H3.
What are the key properties of 3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol?
3-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 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol is sourced from PubChem (CID 114240710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).