1-(2-ethoxyethylsulfanyl)-2-methylpropane

C8H18OS — CID 88911934

IUPAC1-(2-ethoxyethylsulfanyl)-2-methylpropane
SMILESCCOCCSCC(C)C
InChIInChI=1S/C8H18OS/c1-4-9-5-6-10-7-8(2)3/h8H,4-7H2,1-3H3
InChIKeyBZVPGGLJNCQNPU-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.41
Rot. Bonds6

About 1-(2-ethoxyethylsulfanyl)-2-methylpropane

1-(2-ethoxyethylsulfanyl)-2-methylpropane (PubChem CID 88911934) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 1-(2-ethoxyethylsulfanyl)-2-methylpropane.

Molecular Properties

Compound Name1-(2-ethoxyethylsulfanyl)-2-methylpropane
PubChem CID88911934
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name1-(2-ethoxyethylsulfanyl)-2-methylpropane
SMILESCCOCCSCC(C)C
InChIInChI=1S/C8H18OS/c1-4-9-5-6-10-7-8(2)3/h8H,4-7H2,1-3H3
InChIKeyBZVPGGLJNCQNPU-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[2-(2-methylpropylsulfanyl)ethyl]butan-1-amine
CID 62576535
3-[2-(2-methylpropylsulfanyl)ethoxy]propan-1-ol
CID 91250922
1-ethoxy-2-[2-[2-[2-(2-ethoxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethane
CID 5171446
2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
CID 62576536
3-(3-ethoxypropylsulfanyl)-2-methylpropanoic acid
CID 65176721
2-(2-ethoxyethylsulfanyl)propan-1-ol
CID 115659436
1-(2-chloroethylsulfanyl)-2-methylpropane
CID 19883756
1-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfanyl]propan-2-amine
CID 113427112
methyl 3-(3-ethoxypropylsulfanyl)-2-methylpropanoate
CID 65419600
3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine
CID 103482719
CID 59883541
CID 59883541
1-ethoxypropane;1-propan-2-yloxypropane
CID 171659153

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethylsulfanyl)-2-methylpropane?
The IUPAC name of 1-(2-ethoxyethylsulfanyl)-2-methylpropane (CID 88911934) is 1-(2-ethoxyethylsulfanyl)-2-methylpropane.
What is the SMILES notation for 1-(2-ethoxyethylsulfanyl)-2-methylpropane?
The canonical SMILES for 1-(2-ethoxyethylsulfanyl)-2-methylpropane is CCOCCSCC(C)C.
What is the InChIKey of 1-(2-ethoxyethylsulfanyl)-2-methylpropane?
The InChIKey is BZVPGGLJNCQNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-4-9-5-6-10-7-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-(2-ethoxyethylsulfanyl)-2-methylpropane?
1-(2-ethoxyethylsulfanyl)-2-methylpropane has a molecular weight of 162.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethylsulfanyl)-2-methylpropane is sourced from PubChem (CID 88911934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).