4-hex-5-enylsulfanylbutan-1-ol

C10H20OS — CID 132567975

IUPAC4-hex-5-enylsulfanylbutan-1-ol
SMILESC=CCCCCSCCCCO
InChIInChI=1S/C10H20OS/c1-2-3-4-6-9-12-10-7-5-8-11/h2,11H,1,3-10H2
InChIKeyFTQGILTUPNOIAE-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.85
Rot. Bonds9

About 4-hex-5-enylsulfanylbutan-1-ol

4-hex-5-enylsulfanylbutan-1-ol (PubChem CID 132567975) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 4-hex-5-enylsulfanylbutan-1-ol.

Molecular Properties

Compound Name4-hex-5-enylsulfanylbutan-1-ol
PubChem CID132567975
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name4-hex-5-enylsulfanylbutan-1-ol
SMILESC=CCCCCSCCCCO
InChIInChI=1S/C10H20OS/c1-2-3-4-6-9-12-10-7-5-8-11/h2,11H,1,3-10H2
InChIKeyFTQGILTUPNOIAE-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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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Related Compounds

6-propylsulfanylhex-1-ene
CID 23466654
9-(9-hydroxynonylsulfanyl)nonan-1-ol
CID 155127930
octadeca-9,17-dien-1-ol
CID 78409331
methoxymethane;tridec-12-en-1-ol
CID 87674016
4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene
CID 59551659
5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene
CID 11820260
hexane-1,6-diol;undec-10-enoic acid
CID 87494369
heptan-1-ol;hex-1-ene
CID 141435277
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
decan-1-ol;dec-9-en-1-ol;trichlororhodium
CID 158308896
5-(pent-4-enylamino)pentan-1-ol
CID 107317245

Frequently Asked Questions

What is the IUPAC name of 4-hex-5-enylsulfanylbutan-1-ol?
The IUPAC name of 4-hex-5-enylsulfanylbutan-1-ol (CID 132567975) is 4-hex-5-enylsulfanylbutan-1-ol.
What is the SMILES notation for 4-hex-5-enylsulfanylbutan-1-ol?
The canonical SMILES for 4-hex-5-enylsulfanylbutan-1-ol is C=CCCCCSCCCCO.
What is the InChIKey of 4-hex-5-enylsulfanylbutan-1-ol?
The InChIKey is FTQGILTUPNOIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-2-3-4-6-9-12-10-7-5-8-11/h2,11H,1,3-10H2.
What are the key properties of 4-hex-5-enylsulfanylbutan-1-ol?
4-hex-5-enylsulfanylbutan-1-ol has a molecular weight of 188.34 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hex-5-enylsulfanylbutan-1-ol is sourced from PubChem (CID 132567975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).