3-propan-2-ylsulfanyloct-1-en-4-ol

C11H22OS — CID 134978989

IUPAC3-propan-2-ylsulfanyloct-1-en-4-ol
SMILESC=CC(SC(C)C)C(O)CCCC
InChIInChI=1S/C11H22OS/c1-5-7-8-10(12)11(6-2)13-9(3)4/h6,9-12H,2,5,7-8H2,1,3-4H3
InChIKeyPGBIDMFGCGUMDJ-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.23
Rot. Bonds7

About 3-propan-2-ylsulfanyloct-1-en-4-ol

3-propan-2-ylsulfanyloct-1-en-4-ol (PubChem CID 134978989) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 3-propan-2-ylsulfanyloct-1-en-4-ol.

Molecular Properties

Compound Name3-propan-2-ylsulfanyloct-1-en-4-ol
PubChem CID134978989
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name3-propan-2-ylsulfanyloct-1-en-4-ol
SMILESC=CC(SC(C)C)C(O)CCCC
InChIInChI=1S/C11H22OS/c1-5-7-8-10(12)11(6-2)13-9(3)4/h6,9-12H,2,5,7-8H2,1,3-4H3
InChIKeyPGBIDMFGCGUMDJ-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylsulfanyloct-1-en-4-ol?
The IUPAC name of 3-propan-2-ylsulfanyloct-1-en-4-ol (CID 134978989) is 3-propan-2-ylsulfanyloct-1-en-4-ol.
What is the SMILES notation for 3-propan-2-ylsulfanyloct-1-en-4-ol?
The canonical SMILES for 3-propan-2-ylsulfanyloct-1-en-4-ol is C=CC(SC(C)C)C(O)CCCC.
What is the InChIKey of 3-propan-2-ylsulfanyloct-1-en-4-ol?
The InChIKey is PGBIDMFGCGUMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-5-7-8-10(12)11(6-2)13-9(3)4/h6,9-12H,2,5,7-8H2,1,3-4H3.
What are the key properties of 3-propan-2-ylsulfanyloct-1-en-4-ol?
3-propan-2-ylsulfanyloct-1-en-4-ol has a molecular weight of 202.36 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfanyloct-1-en-4-ol is sourced from PubChem (CID 134978989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).