8-prop-2-enylsulfanyloct-1-en-4-ol

C11H20OS — CID 173211368

IUPAC8-prop-2-enylsulfanyloct-1-en-4-ol
SMILESC=CCSCCCCC(O)CC=C
InChIInChI=1S/C11H20OS/c1-3-7-11(12)8-5-6-10-13-9-4-2/h3-4,11-12H,1-2,5-10H2
InChIKeyJGYZEVWUJCXXHA-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.01
Rot. Bonds9

About 8-prop-2-enylsulfanyloct-1-en-4-ol

8-prop-2-enylsulfanyloct-1-en-4-ol (PubChem CID 173211368) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 8-prop-2-enylsulfanyloct-1-en-4-ol.

Molecular Properties

Compound Name8-prop-2-enylsulfanyloct-1-en-4-ol
PubChem CID173211368
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name8-prop-2-enylsulfanyloct-1-en-4-ol
SMILESC=CCSCCCCC(O)CC=C
InChIInChI=1S/C11H20OS/c1-3-7-11(12)8-5-6-10-13-9-4-2/h3-4,11-12H,1-2,5-10H2
InChIKeyJGYZEVWUJCXXHA-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.01
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 8-prop-2-enylsulfanyloct-1-en-4-ol?
The IUPAC name of 8-prop-2-enylsulfanyloct-1-en-4-ol (CID 173211368) is 8-prop-2-enylsulfanyloct-1-en-4-ol.
What is the SMILES notation for 8-prop-2-enylsulfanyloct-1-en-4-ol?
The canonical SMILES for 8-prop-2-enylsulfanyloct-1-en-4-ol is C=CCSCCCCC(O)CC=C.
What is the InChIKey of 8-prop-2-enylsulfanyloct-1-en-4-ol?
The InChIKey is JGYZEVWUJCXXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-3-7-11(12)8-5-6-10-13-9-4-2/h3-4,11-12H,1-2,5-10H2.
What are the key properties of 8-prop-2-enylsulfanyloct-1-en-4-ol?
8-prop-2-enylsulfanyloct-1-en-4-ol has a molecular weight of 200.35 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-enylsulfanyloct-1-en-4-ol is sourced from PubChem (CID 173211368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).