ethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane

C10H24S — CID 123222761

IUPACethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane
SMILESCCC(C)C(C)S(C)(C)CC
InChIInChI=1S/C10H24S/c1-7-9(3)10(4)11(5,6)8-2/h9-10H,7-8H2,1-6H3
InChIKeyXCHCZNXTZFUTCW-UHFFFAOYSA-N
MW176.37 g/mol
LogP3.51
Rot. Bonds4

About ethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane

ethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane (PubChem CID 123222761) has the molecular formula C10H24S and a molecular weight of 176.37 g/mol. Its IUPAC name is ethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane.

Molecular Properties

Compound Nameethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane
PubChem CID123222761
Molecular FormulaC10H24S
Molecular Weight176.37 g/mol
Exact Mass176.16
IUPAC Nameethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane
SMILESCCC(C)C(C)S(C)(C)CC
InChIInChI=1S/C10H24S/c1-7-9(3)10(4)11(5,6)8-2/h9-10H,7-8H2,1-6H3
InChIKeyXCHCZNXTZFUTCW-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methylpentan-2-ylsulfonyl 3-methylpentane-2-sulfonate
CID 87941815
(4R)-3-ethyl-4-methylhexane
CID 59954491
4-methyl-2-methylsulfonylhexan-3-amine
CID 105017498
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
3-methylpentan-2-yl methanesulfonate
CID 89448678
(2S,3R)-3-methylpentan-2-ol
CID 6993006
3-ethylpentan-2-yl methanesulfonate
CID 91373609
1-(2,3-dimethylpentylsulfonyl)-2,3-dimethylpentane
CID 88834711
CID 91437014
CID 91437014
CID 174030346
CID 174030346
(2-ethyl-3-methylbutyl) methanesulfonate
CID 155316894
(4S)-3,4-dimethylhexane;methyliodanuidylmethane
CID 168990410

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane?
The IUPAC name of ethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane (CID 123222761) is ethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane.
What is the SMILES notation for ethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane?
The canonical SMILES for ethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane is CCC(C)C(C)S(C)(C)CC.
What is the InChIKey of ethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane?
The InChIKey is XCHCZNXTZFUTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24S/c1-7-9(3)10(4)11(5,6)8-2/h9-10H,7-8H2,1-6H3.
What are the key properties of ethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane?
ethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane has a molecular weight of 176.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(3-methylpentan-2-yl)-λ4-sulfane is sourced from PubChem (CID 123222761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).