(3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

C14H24O2S2 — CID 113299386

IUPAC(3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESCC1SCCSC1C(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H24O2S2/c1-10-13(18-8-7-17-10)12(15)11-3-6-16-14(9-11)4-2-5-14/h10-13,15H,2-9H2,1H3
InChIKeyBBOHUGRDSBZWQI-UHFFFAOYSA-N
MW288.48 g/mol
LogP2.93
Rot. Bonds2

About (3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

(3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (PubChem CID 113299386) has the molecular formula C14H24O2S2 and a molecular weight of 288.48 g/mol. Its IUPAC name is (3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
PubChem CID113299386
Molecular FormulaC14H24O2S2
Molecular Weight288.48 g/mol
Exact Mass288.12
IUPAC Name(3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESCC1SCCSC1C(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H24O2S2/c1-10-13(18-8-7-17-10)12(15)11-3-6-16-14(9-11)4-2-5-14/h10-13,15H,2-9H2,1H3
InChIKeyBBOHUGRDSBZWQI-UHFFFAOYSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dioxaspiro[4.5]decan-9-yl-(3-methyl-1,4-dithian-2-yl)methanol
CID 115386175
N-[(3-methyl-1,4-dithian-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 115387067
cyclohexyl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899192
5-oxaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanol
CID 79913378
(2-methyloxolan-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115819651
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354
1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol
CID 80622914
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
[1,9-dioxaspiro[5.5]undecan-4-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259501
2-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 115819806
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diol
CID 103459246
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
CID 103454715

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The IUPAC name of (3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (CID 113299386) is (3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.
What is the SMILES notation for (3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The canonical SMILES for (3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is CC1SCCSC1C(O)C1CCOC2(CCC2)C1.
What is the InChIKey of (3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The InChIKey is BBOHUGRDSBZWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2S2/c1-10-13(18-8-7-17-10)12(15)11-3-6-16-14(9-11)4-2-5-14/h10-13,15H,2-9H2,1H3.
What are the key properties of (3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
(3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol has a molecular weight of 288.48 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,4-dithian-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is sourced from PubChem (CID 113299386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).