(Z)-2-propylsulfanylhex-2-en-4-yne-1,6-diol

C9H14O2S — CID 12601009

IUPAC(Z)-2-propylsulfanylhex-2-en-4-yne-1,6-diol
SMILESCCCS/C(=C\C#CCO)CO
InChIInChI=1S/C9H14O2S/c1-2-7-12-9(8-11)5-3-4-6-10/h5,10-11H,2,6-8H2,1H3/b9-5-
InChIKeyYVLYRQXXLSXPGZ-UITAMQMPSA-N
MW186.28 g/mol
LogP1.00
Rot. Bonds4

About (Z)-2-propylsulfanylhex-2-en-4-yne-1,6-diol

(Z)-2-propylsulfanylhex-2-en-4-yne-1,6-diol (PubChem CID 12601009) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is (Z)-2-propylsulfanylhex-2-en-4-yne-1,6-diol.

Molecular Properties

Compound Name(Z)-2-propylsulfanylhex-2-en-4-yne-1,6-diol
PubChem CID12601009
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name(Z)-2-propylsulfanylhex-2-en-4-yne-1,6-diol
SMILESCCCS/C(=C\C#CCO)CO
InChIInChI=1S/C9H14O2S/c1-2-7-12-9(8-11)5-3-4-6-10/h5,10-11H,2,6-8H2,1H3/b9-5-
InChIKeyYVLYRQXXLSXPGZ-UITAMQMPSA-N
XLogP1.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-1,6-dihydroxyhex-2-en-4-yn-2-yl]sulfanylpropanenitrile
CID 10352679
(Z)-5-butylsulfanyldodec-5-en-7-yne
CID 102456333
(E)-5-ethylsulfanyl-6-methylhept-4-en-2-yne-1,6-diol
CID 23272365
(Z)-7-butylsulfanylhexadec-7-en-9-yne
CID 102456334
(Z)-4-(hydroxymethyl)oct-4-en-2,6-diyne-1,8-diol
CID 102130046
(Z)-oct-4-en-2,6-diyne-1,8-diol
CID 10844431
hept-4-en-2-yn-1-ol
CID 54212418
bis(propylsulfanyl)methanone
CID 536266
(E)-hex-4-en-2-yn-1-ol
CID 10996965
S-propyl N,N-dimethylcarbamothioate
CID 13228568
(Z)-3-methyldec-3-en-5-yne
CID 134977329
(Z)-1,2-bis(propylsulfanyl)oct-1-ene
CID 102019133

Frequently Asked Questions

What is the IUPAC name of (Z)-2-propylsulfanylhex-2-en-4-yne-1,6-diol?
The IUPAC name of (Z)-2-propylsulfanylhex-2-en-4-yne-1,6-diol (CID 12601009) is (Z)-2-propylsulfanylhex-2-en-4-yne-1,6-diol.
What is the SMILES notation for (Z)-2-propylsulfanylhex-2-en-4-yne-1,6-diol?
The canonical SMILES for (Z)-2-propylsulfanylhex-2-en-4-yne-1,6-diol is CCCS/C(=C\C#CCO)CO.
What is the InChIKey of (Z)-2-propylsulfanylhex-2-en-4-yne-1,6-diol?
The InChIKey is YVLYRQXXLSXPGZ-UITAMQMPSA-N. The full InChI is InChI=1S/C9H14O2S/c1-2-7-12-9(8-11)5-3-4-6-10/h5,10-11H,2,6-8H2,1H3/b9-5-.
What are the key properties of (Z)-2-propylsulfanylhex-2-en-4-yne-1,6-diol?
(Z)-2-propylsulfanylhex-2-en-4-yne-1,6-diol has a molecular weight of 186.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-propylsulfanylhex-2-en-4-yne-1,6-diol is sourced from PubChem (CID 12601009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).