(4S)-7-propylsulfanylhept-2-en-4-ol

C10H20OS — CID 91329442

IUPAC(4S)-7-propylsulfanylhept-2-en-4-ol
SMILESCC=C[C@@H](O)CCCSCCC
InChIInChI=1S/C10H20OS/c1-3-6-10(11)7-5-9-12-8-4-2/h3,6,10-11H,4-5,7-9H2,1-2H3/t10-/m1/s1
InChIKeyYFRQMIAJOIALDS-SNVBAGLBSA-N
MW188.34 g/mol
LogP2.85
Rot. Bonds7

About (4S)-7-propylsulfanylhept-2-en-4-ol

(4S)-7-propylsulfanylhept-2-en-4-ol (PubChem CID 91329442) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is (4S)-7-propylsulfanylhept-2-en-4-ol.

Molecular Properties

Compound Name(4S)-7-propylsulfanylhept-2-en-4-ol
PubChem CID91329442
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name(4S)-7-propylsulfanylhept-2-en-4-ol
SMILESCC=C[C@@H](O)CCCSCCC
InChIInChI=1S/C10H20OS/c1-3-6-10(11)7-5-9-12-8-4-2/h3,6,10-11H,4-5,7-9H2,1-2H3/t10-/m1/s1
InChIKeyYFRQMIAJOIALDS-SNVBAGLBSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.85
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 (4S)-7-propylsulfanylhept-2-en-4-ol?
The IUPAC name of (4S)-7-propylsulfanylhept-2-en-4-ol (CID 91329442) is (4S)-7-propylsulfanylhept-2-en-4-ol.
What is the SMILES notation for (4S)-7-propylsulfanylhept-2-en-4-ol?
The canonical SMILES for (4S)-7-propylsulfanylhept-2-en-4-ol is CC=C[C@@H](O)CCCSCCC.
What is the InChIKey of (4S)-7-propylsulfanylhept-2-en-4-ol?
The InChIKey is YFRQMIAJOIALDS-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20OS/c1-3-6-10(11)7-5-9-12-8-4-2/h3,6,10-11H,4-5,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (4S)-7-propylsulfanylhept-2-en-4-ol?
(4S)-7-propylsulfanylhept-2-en-4-ol has a molecular weight of 188.34 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-propylsulfanylhept-2-en-4-ol is sourced from PubChem (CID 91329442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).