(6Z)-6-methylsulfanylnona-6,8-dien-4-ol

C10H18OS — CID 143267515

IUPAC(6Z)-6-methylsulfanylnona-6,8-dien-4-ol
SMILESC=C/C=C(/CC(O)CCC)SC
InChIInChI=1S/C10H18OS/c1-4-6-9(11)8-10(12-3)7-5-2/h5,7,9,11H,2,4,6,8H2,1,3H3/b10-7-
InChIKeyZVJGYMGEGSDOSS-YFHOEESVSA-N
MW186.32 g/mol
LogP2.97
Rot. Bonds6

About (6Z)-6-methylsulfanylnona-6,8-dien-4-ol

(6Z)-6-methylsulfanylnona-6,8-dien-4-ol (PubChem CID 143267515) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (6Z)-6-methylsulfanylnona-6,8-dien-4-ol.

Molecular Properties

Compound Name(6Z)-6-methylsulfanylnona-6,8-dien-4-ol
PubChem CID143267515
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(6Z)-6-methylsulfanylnona-6,8-dien-4-ol
SMILESC=C/C=C(/CC(O)CCC)SC
InChIInChI=1S/C10H18OS/c1-4-6-9(11)8-10(12-3)7-5-2/h5,7,9,11H,2,4,6,8H2,1,3H3/b10-7-
InChIKeyZVJGYMGEGSDOSS-YFHOEESVSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 140740952
4-hydroxy-2-methylideneheptanal
CID 12014410
(7E)-deca-7,9-dien-4-ol
CID 46176590
(E)-5-hydroxy-3-methyloct-2-enal
CID 87292146
ethane;(3E)-4-ethenyl-5,6-dimethylnona-1,3-diene
CID 143267844
ethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol
CID 143267708
hexan-3-ol
CID 12178
(E,5R)-3-methyloct-2-ene-1,5-diol
CID 163319747
3-hydroxyhexanoic acid;methane
CID 175209406
hexan-3-ol;λ2-plumbane
CID 174675580
(4R,8R)-undecane-4,8-diol
CID 101372142
6-hydroxynonan-4-one
CID 22287595

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-methylsulfanylnona-6,8-dien-4-ol?
The IUPAC name of (6Z)-6-methylsulfanylnona-6,8-dien-4-ol (CID 143267515) is (6Z)-6-methylsulfanylnona-6,8-dien-4-ol.
What is the SMILES notation for (6Z)-6-methylsulfanylnona-6,8-dien-4-ol?
The canonical SMILES for (6Z)-6-methylsulfanylnona-6,8-dien-4-ol is C=C/C=C(/CC(O)CCC)SC.
What is the InChIKey of (6Z)-6-methylsulfanylnona-6,8-dien-4-ol?
The InChIKey is ZVJGYMGEGSDOSS-YFHOEESVSA-N. The full InChI is InChI=1S/C10H18OS/c1-4-6-9(11)8-10(12-3)7-5-2/h5,7,9,11H,2,4,6,8H2,1,3H3/b10-7-.
What are the key properties of (6Z)-6-methylsulfanylnona-6,8-dien-4-ol?
(6Z)-6-methylsulfanylnona-6,8-dien-4-ol has a molecular weight of 186.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-methylsulfanylnona-6,8-dien-4-ol is sourced from PubChem (CID 143267515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).