(4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol

C10H18OS — CID 143683535

IUPAC(4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol
SMILESC/C(=C\C=C/CC(C)O)C(C)S
InChIInChI=1S/C10H18OS/c1-8(10(3)12)6-4-5-7-9(2)11/h4-6,9-12H,7H2,1-3H3/b5-4-,8-6+
InChIKeyHWMKJBCFDAXZLA-GSGSLZOQSA-N
MW186.32 g/mol
LogP2.58
Rot. Bonds4

About (4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol

(4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol (PubChem CID 143683535) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol.

Molecular Properties

Compound Name(4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol
PubChem CID143683535
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol
SMILESC/C(=C\C=C/CC(C)O)C(C)S
InChIInChI=1S/C10H18OS/c1-8(10(3)12)6-4-5-7-9(2)11/h4-6,9-12H,7H2,1-3H3/b5-4-,8-6+
InChIKeyHWMKJBCFDAXZLA-GSGSLZOQSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-Phenyl-2-sulfanylethanol;yttrium
CID 59775673
(3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol
CID 89366187
1-(1-Methyl-1-methylidenethiopyran-2-yl)ethanol
CID 91074785
(2S,4E)-7-methylocta-4,6-dien-2-ol
CID 117684293
(3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-2-ol
CID 117916834
(4E)-3,7-dimethyl-3-sulfanylocta-4,6-dien-1-ol
CID 118437206
3,7-Dimethyl-3-sulfanylocta-4,6-dien-1-ol
CID 123900011
(3Z,5Z)-3-ethenyl-6-(2-sulfanylethyl)octa-3,5,7-trien-1-ol
CID 138738701
6-Sulfanylhex-4-en-2-ol
CID 141554685
methanethiol;(3E,4Z)-3-prop-2-enylidenehepta-4,6-dien-2-ol
CID 141782717
but-1-ene;(4E)-5,6-dimethylhepta-4,6-dien-2-ol
CID 142868240
ethane;(4Z)-5-methylhepta-4,6-dien-2-ol
CID 143259573

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol?
The IUPAC name of (4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol (CID 143683535) is (4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol.
What is the SMILES notation for (4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol?
The canonical SMILES for (4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol is C/C(=C\C=C/CC(C)O)C(C)S.
What is the InChIKey of (4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol?
The InChIKey is HWMKJBCFDAXZLA-GSGSLZOQSA-N. The full InChI is InChI=1S/C10H18OS/c1-8(10(3)12)6-4-5-7-9(2)11/h4-6,9-12H,7H2,1-3H3/b5-4-,8-6+.
What are the key properties of (4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol?
(4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol has a molecular weight of 186.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-7-methyl-8-sulfanylnona-4,6-dien-2-ol is sourced from PubChem (CID 143683535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).