(2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol

C15H26O2S — CID 105116291

IUPAC(2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCC1(C(O)C2CCOC3(CCCC3)C2)CCCS1
InChIInChI=1S/C15H26O2S/c1-14(6-4-10-18-14)13(16)12-5-9-17-15(11-12)7-2-3-8-15/h12-13,16H,2-11H2,1H3
InChIKeyUJAPARJECAPSSU-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.37
Rot. Bonds2

About (2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 105116291) has the molecular formula C15H26O2S and a molecular weight of 270.44 g/mol. Its IUPAC name is (2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID105116291
Molecular FormulaC15H26O2S
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCC1(C(O)C2CCOC3(CCCC3)C2)CCCS1
InChIInChI=1S/C15H26O2S/c1-14(6-4-10-18-14)13(16)12-5-9-17-15(11-12)7-2-3-8-15/h12-13,16H,2-11H2,1H3
InChIKeyUJAPARJECAPSSU-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,9-dioxaspiro[5.5]undecan-4-yl-(2-methylthiolan-2-yl)methanol
CID 105113937
(2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 105116903
(2-methylthiolan-2-yl)-(oxan-4-yl)methanol
CID 105097535
(1-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106830968
[1-(dimethylamino)cyclopentyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79921401
(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115823537
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106830971
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
2-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 115819806
2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79921915

Frequently Asked Questions

What is the IUPAC name of (2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 105116291) is (2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol is CC1(C(O)C2CCOC3(CCCC3)C2)CCCS1.
What is the InChIKey of (2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is UJAPARJECAPSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2S/c1-14(6-4-10-18-14)13(16)12-5-9-17-15(11-12)7-2-3-8-15/h12-13,16H,2-11H2,1H3.
What are the key properties of (2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 270.44 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 105116291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).