7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

C15H24O3S — CID 79921658

IUPAC7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESOC(C1CCOC2(CCSC2)C1)C1CC2CCC1O2
InChIInChI=1S/C15H24O3S/c16-14(12-7-11-1-2-13(12)18-11)10-3-5-17-15(8-10)4-6-19-9-15/h10-14,16H,1-9H2
InChIKeyVEEGILLLZIONRI-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.22
Rot. Bonds2

About 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol

7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (PubChem CID 79921658) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
PubChem CID79921658
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Name7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
SMILESOC(C1CCOC2(CCSC2)C1)C1CC2CCC1O2
InChIInChI=1S/C15H24O3S/c16-14(12-7-11-1-2-13(12)18-11)10-3-5-17-15(8-10)4-6-19-9-15/h10-14,16H,1-9H2
InChIKeyVEEGILLLZIONRI-UHFFFAOYSA-N
XLogP2.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol with MolForge

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Related Compounds

7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79915094
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80720172
1,4-oxathian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79962909
(2-methylfuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 113453316
2-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,2-diol
CID 103449203
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
(3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 79913976
1-[hydroxy(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452227
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106830971
(1,4-dimethylpiperazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921674

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol (CID 79921658) is 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is OC(C1CCOC2(CCSC2)C1)C1CC2CCC1O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
The InChIKey is VEEGILLLZIONRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c16-14(12-7-11-1-2-13(12)18-11)10-3-5-17-15(8-10)4-6-19-9-15/h10-14,16H,1-9H2.
What are the key properties of 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol?
7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol has a molecular weight of 284.42 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]heptan-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 79921658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).