1-propylsulfanylhex-5-en-2-ol

C9H18OS — CID 65129712

IUPAC1-propylsulfanylhex-5-en-2-ol
SMILESC=CCCC(O)CSCCC
InChIInChI=1S/C9H18OS/c1-3-5-6-9(10)8-11-7-4-2/h3,9-10H,1,4-8H2,2H3
InChIKeyUVKNYVUXALKXEL-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.46
Rot. Bonds7

About 1-propylsulfanylhex-5-en-2-ol

1-propylsulfanylhex-5-en-2-ol (PubChem CID 65129712) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 1-propylsulfanylhex-5-en-2-ol.

Molecular Properties

Compound Name1-propylsulfanylhex-5-en-2-ol
PubChem CID65129712
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name1-propylsulfanylhex-5-en-2-ol
SMILESC=CCCC(O)CSCCC
InChIInChI=1S/C9H18OS/c1-3-5-6-9(10)8-11-7-4-2/h3,9-10H,1,4-8H2,2H3
InChIKeyUVKNYVUXALKXEL-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.46
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

1-propylsulfanyloctan-2-ol
CID 65130128
1-(2-hydroxyhex-5-enylsulfanyloxysulfanyl)hex-5-en-2-ol
CID 139642364
6-propylsulfanylhex-1-ene
CID 23466654
4-methyl-1-propylsulfanylheptan-2-ol
CID 65130129
5-phenyl-1-propylsulfanylpentan-2-ol
CID 65130251
3-methyl-4-propylsulfanylbut-1-ene
CID 90951175
1-ethoxy-3-propylsulfanylpropan-2-ol
CID 63932362
(2S)-1-aminohex-5-en-2-ol
CID 34176840
(5R,6R)-dec-1-ene-5,6-diol
CID 10844929
(5R,6S)-dec-1-ene-5,6-diol
CID 10511398
5-(2-methylpropylsulfanyl)pent-1-ene
CID 130683764
1-ethenylsulfanylpentan-2-ol
CID 140740952

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfanylhex-5-en-2-ol?
The IUPAC name of 1-propylsulfanylhex-5-en-2-ol (CID 65129712) is 1-propylsulfanylhex-5-en-2-ol.
What is the SMILES notation for 1-propylsulfanylhex-5-en-2-ol?
The canonical SMILES for 1-propylsulfanylhex-5-en-2-ol is C=CCCC(O)CSCCC.
What is the InChIKey of 1-propylsulfanylhex-5-en-2-ol?
The InChIKey is UVKNYVUXALKXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-3-5-6-9(10)8-11-7-4-2/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 1-propylsulfanylhex-5-en-2-ol?
1-propylsulfanylhex-5-en-2-ol has a molecular weight of 174.31 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfanylhex-5-en-2-ol is sourced from PubChem (CID 65129712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).