(2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol

C15H26O2S2 — CID 105116903

IUPAC(2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
SMILESCC1(C(O)C2CCOC3(CCSCC3)C2)CCCS1
InChIInChI=1S/C15H26O2S2/c1-14(4-2-8-19-14)13(16)12-3-7-17-15(11-12)5-9-18-10-6-15/h12-13,16H,2-11H2,1H3
InChIKeyZOJRDWQHFAHKTP-UHFFFAOYSA-N
MW302.51 g/mol
LogP3.33
Rot. Bonds2

About (2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol

(2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol (PubChem CID 105116903) has the molecular formula C15H26O2S2 and a molecular weight of 302.51 g/mol. Its IUPAC name is (2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
PubChem CID105116903
Molecular FormulaC15H26O2S2
Molecular Weight302.51 g/mol
Exact Mass302.14
IUPAC Name(2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
SMILESCC1(C(O)C2CCOC3(CCSCC3)C2)CCCS1
InChIInChI=1S/C15H26O2S2/c1-14(4-2-8-19-14)13(16)12-3-7-17-15(11-12)5-9-18-10-6-15/h12-13,16H,2-11H2,1H3
InChIKeyZOJRDWQHFAHKTP-UHFFFAOYSA-N
XLogP3.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylthiolan-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116291
1,9-dioxaspiro[5.5]undecan-4-yl-(2-methylthiolan-2-yl)methanol
CID 105113937
(1-ethylcyclopentyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115823537
(2-methylthiolan-2-yl)-(oxan-4-yl)methanol
CID 105097535
1-(2,2-dimethylcyclopropyl)-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 107004814
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106830971
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79914536
(3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 79913976
(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79910538
(1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 113404900
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105018040

Frequently Asked Questions

What is the IUPAC name of (2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol (CID 105116903) is (2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol is CC1(C(O)C2CCOC3(CCSCC3)C2)CCCS1.
What is the InChIKey of (2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is ZOJRDWQHFAHKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2S2/c1-14(4-2-8-19-14)13(16)12-3-7-17-15(11-12)5-9-18-10-6-15/h12-13,16H,2-11H2,1H3.
What are the key properties of (2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol?
(2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 302.51 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiolan-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 105116903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).