1-prop-2-enylsulfanyloct-7-en-1-ol

C11H20OS — CID 87990560

IUPAC1-prop-2-enylsulfanyloct-7-en-1-ol
SMILESC=CCCCCCC(O)SCC=C
InChIInChI=1S/C11H20OS/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-4,11-12H,1-2,5-10H2
InChIKeyAWCIIQWXQIZACJ-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.36
Rot. Bonds9

About 1-prop-2-enylsulfanyloct-7-en-1-ol

1-prop-2-enylsulfanyloct-7-en-1-ol (PubChem CID 87990560) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-prop-2-enylsulfanyloct-7-en-1-ol.

Molecular Properties

Compound Name1-prop-2-enylsulfanyloct-7-en-1-ol
PubChem CID87990560
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name1-prop-2-enylsulfanyloct-7-en-1-ol
SMILESC=CCCCCCC(O)SCC=C
InChIInChI=1S/C11H20OS/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-4,11-12H,1-2,5-10H2
InChIKeyAWCIIQWXQIZACJ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylsulfanyloct-7-en-1-ol?
The IUPAC name of 1-prop-2-enylsulfanyloct-7-en-1-ol (CID 87990560) is 1-prop-2-enylsulfanyloct-7-en-1-ol.
What is the SMILES notation for 1-prop-2-enylsulfanyloct-7-en-1-ol?
The canonical SMILES for 1-prop-2-enylsulfanyloct-7-en-1-ol is C=CCCCCCC(O)SCC=C.
What is the InChIKey of 1-prop-2-enylsulfanyloct-7-en-1-ol?
The InChIKey is AWCIIQWXQIZACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-4,11-12H,1-2,5-10H2.
What are the key properties of 1-prop-2-enylsulfanyloct-7-en-1-ol?
1-prop-2-enylsulfanyloct-7-en-1-ol has a molecular weight of 200.35 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfanyloct-7-en-1-ol is sourced from PubChem (CID 87990560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).