bis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine)

C60H122N2O5S — CID 160960969

IUPACbis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine)
SMILESC=S1(=O)CCC(C)CC1.CC1CCCC1.CC1CCCCC1.CC1CCCCC1.CC1COC1.C[C@@H]1CCCNC1.C[C@@H]1CCCNC1.C[C@@H]1CCCOC1.C[C@H]1CCCOC1.C[C@H]1CCOC1
InChIInChI=1S/C7H14OS.2C7H14.2C6H13N.2C6H12O.C6H12.C5H10O.C4H8O/c1-7-3-5-9(2,8)6-4-7;2*1-7-5-3-2-4-6-7;4*1-6-3-2-4-7-5-6;1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-4-2-5-3-4/h7H,2-6H2,1H3;2*7H,2-6H2,1H3;2*6-7H,2-5H2,1H3;2*6H,2-5H2,1H3;6H,2-5H2,1H3;5H,2-4H2,1H3;4H,2-3H2,1H3/t;;;4*6-;;5-;/m...1110.0./s1
InChIKeySWZRUCDUOCXZSU-JUVDEJBCSA-N
MW983.71 g/mol
LogP15.08
Rot. Bonds

About bis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine)

bis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine) (PubChem CID 160960969) has the molecular formula C60H122N2O5S and a molecular weight of 983.71 g/mol. Its IUPAC name is bis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine).

Molecular Properties

Compound Namebis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine)
PubChem CID160960969
Molecular FormulaC60H122N2O5S
Molecular Weight983.71 g/mol
Exact Mass982.91
IUPAC Namebis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine)
SMILESC=S1(=O)CCC(C)CC1.CC1CCCC1.CC1CCCCC1.CC1CCCCC1.CC1COC1.C[C@@H]1CCCNC1.C[C@@H]1CCCNC1.C[C@@H]1CCCOC1.C[C@H]1CCCOC1.C[C@H]1CCOC1
InChIInChI=1S/C7H14OS.2C7H14.2C6H13N.2C6H12O.C6H12.C5H10O.C4H8O/c1-7-3-5-9(2,8)6-4-7;2*1-7-5-3-2-4-6-7;4*1-6-3-2-4-7-5-6;1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-4-2-5-3-4/h7H,2-6H2,1H3;2*7H,2-6H2,1H3;2*6-7H,2-5H2,1H3;2*6H,2-5H2,1H3;6H,2-5H2,1H3;5H,2-4H2,1H3;4H,2-3H2,1H3/t;;;4*6-;;5-;/m...1110.0./s1
InChIKeySWZRUCDUOCXZSU-JUVDEJBCSA-N
XLogP15.08
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.71
LogP ≤ 515.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze bis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine)?
The IUPAC name of bis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine) (CID 160960969) is bis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine).
What is the SMILES notation for bis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine)?
The canonical SMILES for bis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine) is C=S1(=O)CCC(C)CC1.CC1CCCC1.CC1CCCCC1.CC1CCCCC1.CC1COC1.C[C@@H]1CCCNC1.C[C@@H]1CCCNC1.C[C@@H]1CCCOC1.C[C@H]1CCCOC1.C[C@H]1CCOC1.
What is the InChIKey of bis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine)?
The InChIKey is SWZRUCDUOCXZSU-JUVDEJBCSA-N. The full InChI is InChI=1S/C7H14OS.2C7H14.2C6H13N.2C6H12O.C6H12.C5H10O.C4H8O/c1-7-3-5-9(2,8)6-4-7;2*1-7-5-3-2-4-6-7;4*1-6-3-2-4-7-5-6;1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-4-2-5-3-4/h7H,2-6H2,1H3;2*7H,2-6H2,1H3;2*6-7H,2-5H2,1H3;2*6H,2-5H2,1H3;6H,2-5H2,1H3;5H,2-4H2,1H3;4H,2-3H2,1H3/t;;;4*6-;;5-;/m...1110.0./s1.
What are the key properties of bis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine)?
bis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine) has a molecular weight of 983.71 g/mol, XLogP of 15.08, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylcyclohexane);methylcyclopentane;4-methyl-1-methylidenethiane 1-oxide;(3S)-3-methyloxane;(3R)-3-methyloxane;3-methyloxetane;(3S)-3-methyloxolane;bis((3R)-3-methylpiperidine) is sourced from PubChem (CID 160960969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).