(E)-1-propan-2-ylsulfanyloct-1-en-4-ol

C11H22OS — CID 134906210

IUPAC(E)-1-propan-2-ylsulfanyloct-1-en-4-ol
SMILESCCCCC(O)C/C=C/SC(C)C
InChIInChI=1S/C11H22OS/c1-4-5-7-11(12)8-6-9-13-10(2)3/h6,9-12H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyVYUVCUXPBJFITD-RMKNXTFCSA-N
MW202.36 g/mol
LogP3.58
Rot. Bonds7

About (E)-1-propan-2-ylsulfanyloct-1-en-4-ol

(E)-1-propan-2-ylsulfanyloct-1-en-4-ol (PubChem CID 134906210) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is (E)-1-propan-2-ylsulfanyloct-1-en-4-ol.

Molecular Properties

Compound Name(E)-1-propan-2-ylsulfanyloct-1-en-4-ol
PubChem CID134906210
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name(E)-1-propan-2-ylsulfanyloct-1-en-4-ol
SMILESCCCCC(O)C/C=C/SC(C)C
InChIInChI=1S/C11H22OS/c1-4-5-7-11(12)8-6-9-13-10(2)3/h6,9-12H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyVYUVCUXPBJFITD-RMKNXTFCSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-propan-2-ylsulfanyloct-1-en-4-ol?
The IUPAC name of (E)-1-propan-2-ylsulfanyloct-1-en-4-ol (CID 134906210) is (E)-1-propan-2-ylsulfanyloct-1-en-4-ol.
What is the SMILES notation for (E)-1-propan-2-ylsulfanyloct-1-en-4-ol?
The canonical SMILES for (E)-1-propan-2-ylsulfanyloct-1-en-4-ol is CCCCC(O)C/C=C/SC(C)C.
What is the InChIKey of (E)-1-propan-2-ylsulfanyloct-1-en-4-ol?
The InChIKey is VYUVCUXPBJFITD-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H22OS/c1-4-5-7-11(12)8-6-9-13-10(2)3/h6,9-12H,4-5,7-8H2,1-3H3/b9-6+.
What are the key properties of (E)-1-propan-2-ylsulfanyloct-1-en-4-ol?
(E)-1-propan-2-ylsulfanyloct-1-en-4-ol has a molecular weight of 202.36 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-propan-2-ylsulfanyloct-1-en-4-ol is sourced from PubChem (CID 134906210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).