2-(3-methylidenepentylsulfanyl)ethanol

C8H16OS — CID 141421839

IUPAC2-(3-methylidenepentylsulfanyl)ethanol
SMILESC=C(CC)CCSCCO
InChIInChI=1S/C8H16OS/c1-3-8(2)4-6-10-7-5-9/h9H,2-7H2,1H3
InChIKeyAHCWECWNCBDJEQ-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.07
Rot. Bonds6

About 2-(3-methylidenepentylsulfanyl)ethanol

2-(3-methylidenepentylsulfanyl)ethanol (PubChem CID 141421839) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-(3-methylidenepentylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(3-methylidenepentylsulfanyl)ethanol
PubChem CID141421839
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-(3-methylidenepentylsulfanyl)ethanol
SMILESC=C(CC)CCSCCO
InChIInChI=1S/C8H16OS/c1-3-8(2)4-6-10-7-5-9/h9H,2-7H2,1H3
InChIKeyAHCWECWNCBDJEQ-UHFFFAOYSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylidenepentylsulfanyl)ethanol?
The IUPAC name of 2-(3-methylidenepentylsulfanyl)ethanol (CID 141421839) is 2-(3-methylidenepentylsulfanyl)ethanol.
What is the SMILES notation for 2-(3-methylidenepentylsulfanyl)ethanol?
The canonical SMILES for 2-(3-methylidenepentylsulfanyl)ethanol is C=C(CC)CCSCCO.
What is the InChIKey of 2-(3-methylidenepentylsulfanyl)ethanol?
The InChIKey is AHCWECWNCBDJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-8(2)4-6-10-7-5-9/h9H,2-7H2,1H3.
What are the key properties of 2-(3-methylidenepentylsulfanyl)ethanol?
2-(3-methylidenepentylsulfanyl)ethanol has a molecular weight of 160.28 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidenepentylsulfanyl)ethanol is sourced from PubChem (CID 141421839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).