5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane

C18H32O2S — CID 166927733

IUPAC5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane
SMILESCC1CCC(C2CCC(SC3CCC(C)CO3)OC2)CC1
InChIInChI=1S/C18H32O2S/c1-13-3-6-15(7-4-13)16-8-10-18(20-12-16)21-17-9-5-14(2)11-19-17/h13-18H,3-12H2,1-2H3
InChIKeyALJCLWPHMHMOBG-UHFFFAOYSA-N
MW312.52 g/mol
LogP5.07
Rot. Bonds3

About 5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane

5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane (PubChem CID 166927733) has the molecular formula C18H32O2S and a molecular weight of 312.52 g/mol. Its IUPAC name is 5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane.

Molecular Properties

Compound Name5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane
PubChem CID166927733
Molecular FormulaC18H32O2S
Molecular Weight312.52 g/mol
Exact Mass312.21
IUPAC Name5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane
SMILESCC1CCC(C2CCC(SC3CCC(C)CO3)OC2)CC1
InChIInChI=1S/C18H32O2S/c1-13-3-6-15(7-4-13)16-8-10-18(20-12-16)21-17-9-5-14(2)11-19-17/h13-18H,3-12H2,1-2H3
InChIKeyALJCLWPHMHMOBG-UHFFFAOYSA-N
XLogP5.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.52
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane with MolForge

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Related Compounds

2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 21359943
2-ethenyl-5-(4-methylcyclohexyl)oxane
CID 143210182
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
(2S)-2-(4-methylcyclohexyl)oxirane
CID 146186873
1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;ethane
CID 144529308
1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane)
CID 162191451
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
5-(4-methylcyclohexyl)-2-[(3S)-3,4,5-trifluorocyclohexyl]-1,3-dioxane
CID 89343824
5-(4-methylcyclohexyl)-2-(4,5,6-trifluorohexan-2-yl)-1,3-dioxane
CID 89288731
2-(4-methylcyclohexyl)oxetane
CID 59188362
1-cyclohexyl-4-methylcyclohexane;bis(yttrium)
CID 18720967
(5R)-5-methyloxan-2-ol
CID 159421753

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane?
The IUPAC name of 5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane (CID 166927733) is 5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane.
What is the SMILES notation for 5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane?
The canonical SMILES for 5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane is CC1CCC(C2CCC(SC3CCC(C)CO3)OC2)CC1.
What is the InChIKey of 5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane?
The InChIKey is ALJCLWPHMHMOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2S/c1-13-3-6-15(7-4-13)16-8-10-18(20-12-16)21-17-9-5-14(2)11-19-17/h13-18H,3-12H2,1-2H3.
What are the key properties of 5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane?
5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane has a molecular weight of 312.52 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[5-(4-methylcyclohexyl)oxan-2-yl]sulfanyloxane is sourced from PubChem (CID 166927733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).