3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol

C14H30OS — CID 123491559

IUPAC3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol
SMILESCCC(C)(C)OCCC(C)(CC)C(C)CS
InChIInChI=1S/C14H30OS/c1-7-13(4,5)15-10-9-14(6,8-2)12(3)11-16/h12,16H,7-11H2,1-6H3
InChIKeyQRNVPXYSDBAGGA-UHFFFAOYSA-N
MW246.46 g/mol
LogP4.56
Rot. Bonds8

About 3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol

3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol (PubChem CID 123491559) has the molecular formula C14H30OS and a molecular weight of 246.46 g/mol. Its IUPAC name is 3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol.

Molecular Properties

Compound Name3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol
PubChem CID123491559
Molecular FormulaC14H30OS
Molecular Weight246.46 g/mol
Exact Mass246.20
IUPAC Name3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol
SMILESCCC(C)(C)OCCC(C)(CC)C(C)CS
InChIInChI=1S/C14H30OS/c1-7-13(4,5)15-10-9-14(6,8-2)12(3)11-16/h12,16H,7-11H2,1-6H3
InChIKeyQRNVPXYSDBAGGA-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,3,4,4-tetramethyl-1-(2-methylbutan-2-yloxy)pentane
CID 90932083
2-butoxy-5-ethyl-2,5,6-trimethyloctane
CID 91518034
1-ethoxy-3-ethyl-3,4-dimethylhexane
CID 90857890
3,7,7,8,8-pentamethyl-1-(2-methylbutan-2-yloxy)decane
CID 139480158
1,10-bis(2-methylbutan-2-yloxy)decane
CID 171725385
3-methyl-5-(2-methylbutan-2-yloxy)pentan-2-ol
CID 90834044
2-ethyl-2,3-dimethylpentane-1-thiol
CID 123266767
2-amino-2-methyl-5-(2-methylbutan-2-yloxy)pentan-1-ol
CID 64802128
2,2,3,3,4,4-hexamethyl-1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane
CID 90873357
5-(3,3-dimethylbutoxy)-3-ethyl-2,3,5-trimethyl-1-[2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyhexane
CID 123287031
3-methyl-1-(3-methylpentan-3-yloxy)-3-(2-methylpropoxy)pentane
CID 89169879
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol?
The IUPAC name of 3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol (CID 123491559) is 3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol.
What is the SMILES notation for 3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol?
The canonical SMILES for 3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol is CCC(C)(C)OCCC(C)(CC)C(C)CS.
What is the InChIKey of 3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol?
The InChIKey is QRNVPXYSDBAGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OS/c1-7-13(4,5)15-10-9-14(6,8-2)12(3)11-16/h12,16H,7-11H2,1-6H3.
What are the key properties of 3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol?
3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol has a molecular weight of 246.46 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dimethyl-5-(2-methylbutan-2-yloxy)pentane-1-thiol is sourced from PubChem (CID 123491559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).