1-ethylsulfanyl-4-methylpent-4-en-2-ol

C8H16OS — CID 79177162

IUPAC1-ethylsulfanyl-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(O)CSCC
InChIInChI=1S/C8H16OS/c1-4-10-6-8(9)5-7(2)3/h8-9H,2,4-6H2,1,3H3
InChIKeyZMABLTTWPPDLHZ-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.07
Rot. Bonds5

About 1-ethylsulfanyl-4-methylpent-4-en-2-ol

1-ethylsulfanyl-4-methylpent-4-en-2-ol (PubChem CID 79177162) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-methylpent-4-en-2-ol.

Molecular Properties

Compound Name1-ethylsulfanyl-4-methylpent-4-en-2-ol
PubChem CID79177162
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name1-ethylsulfanyl-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(O)CSCC
InChIInChI=1S/C8H16OS/c1-4-10-6-8(9)5-7(2)3/h8-9H,2,4-6H2,1,3H3
InChIKeyZMABLTTWPPDLHZ-UHFFFAOYSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4-methylpent-4-en-2-ol?
The IUPAC name of 1-ethylsulfanyl-4-methylpent-4-en-2-ol (CID 79177162) is 1-ethylsulfanyl-4-methylpent-4-en-2-ol.
What is the SMILES notation for 1-ethylsulfanyl-4-methylpent-4-en-2-ol?
The canonical SMILES for 1-ethylsulfanyl-4-methylpent-4-en-2-ol is C=C(C)CC(O)CSCC.
What is the InChIKey of 1-ethylsulfanyl-4-methylpent-4-en-2-ol?
The InChIKey is ZMABLTTWPPDLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-4-10-6-8(9)5-7(2)3/h8-9H,2,4-6H2,1,3H3.
What are the key properties of 1-ethylsulfanyl-4-methylpent-4-en-2-ol?
1-ethylsulfanyl-4-methylpent-4-en-2-ol has a molecular weight of 160.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-methylpent-4-en-2-ol is sourced from PubChem (CID 79177162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).