1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane

C18H36S — CID 167085206

IUPAC1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane
SMILESCCCC1CCC(C)C(SC)C(C(C)C)CC(C)C1
InChIInChI=1S/C18H36S/c1-7-8-16-10-9-15(5)18(19-6)17(13(2)3)12-14(4)11-16/h13-18H,7-12H2,1-6H3
InChIKeyMKYJTDVSSVXGBZ-UHFFFAOYSA-N
MW284.55 g/mol
LogP6.25
Rot. Bonds4

About 1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane

1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane (PubChem CID 167085206) has the molecular formula C18H36S and a molecular weight of 284.55 g/mol. Its IUPAC name is 1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane.

Molecular Properties

Compound Name1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane
PubChem CID167085206
Molecular FormulaC18H36S
Molecular Weight284.55 g/mol
Exact Mass284.25
IUPAC Name1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane
SMILESCCCC1CCC(C)C(SC)C(C(C)C)CC(C)C1
InChIInChI=1S/C18H36S/c1-7-8-16-10-9-15(5)18(19-6)17(13(2)3)12-14(4)11-16/h13-18H,7-12H2,1-6H3
InChIKeyMKYJTDVSSVXGBZ-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.55
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
1,3-dimethyl-5-propylcyclohexane
CID 13144142
1-(2-methylpropyl)-3-propylcyclopentane
CID 14325896
1-methyl-3-propan-2-yl-2-propylcyclopentane
CID 123480438
1,3-dimethyl-5-propylcyclohexane;ethane
CID 142054568
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
[(1R,2R,4S)-4-methyl-2-propan-2-ylcyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 102527970
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
5-ethyl-1-methyl-2-propan-2-ylcycloheptane
CID 123365042
2-methyl-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22886811
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane?
The IUPAC name of 1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane (CID 167085206) is 1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane.
What is the SMILES notation for 1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane?
The canonical SMILES for 1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane is CCCC1CCC(C)C(SC)C(C(C)C)CC(C)C1.
What is the InChIKey of 1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane?
The InChIKey is MKYJTDVSSVXGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36S/c1-7-8-16-10-9-15(5)18(19-6)17(13(2)3)12-14(4)11-16/h13-18H,7-12H2,1-6H3.
What are the key properties of 1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane?
1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane has a molecular weight of 284.55 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-methylsulfanyl-3-propan-2-yl-7-propylcyclononane is sourced from PubChem (CID 167085206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).