8-prop-2-enylsulfanyloctan-3-ol

C11H22OS — CID 87533153

IUPAC8-prop-2-enylsulfanyloctan-3-ol
SMILESC=CCSCCCCCC(O)CC
InChIInChI=1S/C11H22OS/c1-3-9-13-10-7-5-6-8-11(12)4-2/h3,11-12H,1,4-10H2,2H3
InChIKeyBPAJYPUAONMUOR-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.24
Rot. Bonds9

About 8-prop-2-enylsulfanyloctan-3-ol

8-prop-2-enylsulfanyloctan-3-ol (PubChem CID 87533153) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 8-prop-2-enylsulfanyloctan-3-ol.

Molecular Properties

Compound Name8-prop-2-enylsulfanyloctan-3-ol
PubChem CID87533153
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name8-prop-2-enylsulfanyloctan-3-ol
SMILESC=CCSCCCCCC(O)CC
InChIInChI=1S/C11H22OS/c1-3-9-13-10-7-5-6-8-11(12)4-2/h3,11-12H,1,4-10H2,2H3
InChIKeyBPAJYPUAONMUOR-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.24
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-enylsulfanyloctan-3-ol?
The IUPAC name of 8-prop-2-enylsulfanyloctan-3-ol (CID 87533153) is 8-prop-2-enylsulfanyloctan-3-ol.
What is the SMILES notation for 8-prop-2-enylsulfanyloctan-3-ol?
The canonical SMILES for 8-prop-2-enylsulfanyloctan-3-ol is C=CCSCCCCCC(O)CC.
What is the InChIKey of 8-prop-2-enylsulfanyloctan-3-ol?
The InChIKey is BPAJYPUAONMUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-3-9-13-10-7-5-6-8-11(12)4-2/h3,11-12H,1,4-10H2,2H3.
What are the key properties of 8-prop-2-enylsulfanyloctan-3-ol?
8-prop-2-enylsulfanyloctan-3-ol has a molecular weight of 202.36 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-enylsulfanyloctan-3-ol is sourced from PubChem (CID 87533153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).