2,4-dimethyl-3-octyl-5-propylthiolane

C17H34S — CID 170050469

IUPAC2,4-dimethyl-3-octyl-5-propylthiolane
SMILESCCCCCCCCC1C(C)SC(CCC)C1C
InChIInChI=1S/C17H34S/c1-5-7-8-9-10-11-13-16-14(3)17(12-6-2)18-15(16)4/h14-17H,5-13H2,1-4H3
InChIKeyBVGFFBIKBHIKQF-UHFFFAOYSA-N
MW270.53 g/mol
LogP6.29
Rot. Bonds9

About 2,4-dimethyl-3-octyl-5-propylthiolane

2,4-dimethyl-3-octyl-5-propylthiolane (PubChem CID 170050469) has the molecular formula C17H34S and a molecular weight of 270.53 g/mol. Its IUPAC name is 2,4-dimethyl-3-octyl-5-propylthiolane.

Molecular Properties

Compound Name2,4-dimethyl-3-octyl-5-propylthiolane
PubChem CID170050469
Molecular FormulaC17H34S
Molecular Weight270.53 g/mol
Exact Mass270.24
IUPAC Name2,4-dimethyl-3-octyl-5-propylthiolane
SMILESCCCCCCCCC1C(C)SC(CCC)C1C
InChIInChI=1S/C17H34S/c1-5-7-8-9-10-11-13-16-14(3)17(12-6-2)18-15(16)4/h14-17H,5-13H2,1-4H3
InChIKeyBVGFFBIKBHIKQF-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.53
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-2,3,4,5-tetramethylcyclopentane
CID 59076832
1-methyl-2-pentyl-3-propylcyclopropane
CID 123315526
1,2-dimethyl-3-pentylcyclopropane
CID 524654
1,2-dimethyl-3-pentylcyclopropane;ethane
CID 143707793
1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane
CID 123185482
1,3-dimethyl-2-pentylcyclobutane
CID 91222798
2-decylbicyclo[1.1.0]butane
CID 123632675
4-butyl-3-ethyl-5-methyldithiolane
CID 155399041
2-nonyl-3-[(3-nonylthiiran-2-yl)methoxymethyl]thiirane
CID 139797867
[(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane
CID 102422602
(4S)-2-methyl-3-pentyl-5-oxabicyclo[2.1.1]hexane
CID 147411866
2,3,5,6-tetrabutyl-1,4-dithiane
CID 20721731

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-octyl-5-propylthiolane?
The IUPAC name of 2,4-dimethyl-3-octyl-5-propylthiolane (CID 170050469) is 2,4-dimethyl-3-octyl-5-propylthiolane.
What is the SMILES notation for 2,4-dimethyl-3-octyl-5-propylthiolane?
The canonical SMILES for 2,4-dimethyl-3-octyl-5-propylthiolane is CCCCCCCCC1C(C)SC(CCC)C1C.
What is the InChIKey of 2,4-dimethyl-3-octyl-5-propylthiolane?
The InChIKey is BVGFFBIKBHIKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34S/c1-5-7-8-9-10-11-13-16-14(3)17(12-6-2)18-15(16)4/h14-17H,5-13H2,1-4H3.
What are the key properties of 2,4-dimethyl-3-octyl-5-propylthiolane?
2,4-dimethyl-3-octyl-5-propylthiolane has a molecular weight of 270.53 g/mol, XLogP of 6.29, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-octyl-5-propylthiolane is sourced from PubChem (CID 170050469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).