2-[[(4Z,6Z,8Z)-deca-4,6,8-trien-5-yl]disulfanyl]ethanol

C12H20OS2 — CID 142497796

IUPAC2-[[(4Z,6Z,8Z)-deca-4,6,8-trien-5-yl]disulfanyl]ethanol
SMILESC/C=C\C=C/C(=C/CCC)SSCCO
InChIInChI=1S/C12H20OS2/c1-3-5-7-9-12(8-6-4-2)15-14-11-10-13/h3,5,7-9,13H,4,6,10-11H2,1-2H3/b5-3-,9-7-,12-8-
InChIKeyVVYANXUPOHAIAS-DAVAXLHXSA-N
MW244.42 g/mol
LogP4.18
Rot. Bonds8

About 2-[[(4Z,6Z,8Z)-deca-4,6,8-trien-5-yl]disulfanyl]ethanol

2-[[(4Z,6Z,8Z)-deca-4,6,8-trien-5-yl]disulfanyl]ethanol (PubChem CID 142497796) has the molecular formula C12H20OS2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-[[(4Z,6Z,8Z)-deca-4,6,8-trien-5-yl]disulfanyl]ethanol.

Molecular Properties

Compound Name2-[[(4Z,6Z,8Z)-deca-4,6,8-trien-5-yl]disulfanyl]ethanol
PubChem CID142497796
Molecular FormulaC12H20OS2
Molecular Weight244.42 g/mol
Exact Mass244.10
IUPAC Name2-[[(4Z,6Z,8Z)-deca-4,6,8-trien-5-yl]disulfanyl]ethanol
SMILESC/C=C\C=C/C(=C/CCC)SSCCO
InChIInChI=1S/C12H20OS2/c1-3-5-7-9-12(8-6-4-2)15-14-11-10-13/h3,5,7-9,13H,4,6,10-11H2,1-2H3/b5-3-,9-7-,12-8-
InChIKeyVVYANXUPOHAIAS-DAVAXLHXSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4Z,6Z,8Z)-deca-4,6,8-trien-5-yl]disulfanyl]ethanol?
The IUPAC name of 2-[[(4Z,6Z,8Z)-deca-4,6,8-trien-5-yl]disulfanyl]ethanol (CID 142497796) is 2-[[(4Z,6Z,8Z)-deca-4,6,8-trien-5-yl]disulfanyl]ethanol.
What is the SMILES notation for 2-[[(4Z,6Z,8Z)-deca-4,6,8-trien-5-yl]disulfanyl]ethanol?
The canonical SMILES for 2-[[(4Z,6Z,8Z)-deca-4,6,8-trien-5-yl]disulfanyl]ethanol is C/C=C\C=C/C(=C/CCC)SSCCO.
What is the InChIKey of 2-[[(4Z,6Z,8Z)-deca-4,6,8-trien-5-yl]disulfanyl]ethanol?
The InChIKey is VVYANXUPOHAIAS-DAVAXLHXSA-N. The full InChI is InChI=1S/C12H20OS2/c1-3-5-7-9-12(8-6-4-2)15-14-11-10-13/h3,5,7-9,13H,4,6,10-11H2,1-2H3/b5-3-,9-7-,12-8-.
What are the key properties of 2-[[(4Z,6Z,8Z)-deca-4,6,8-trien-5-yl]disulfanyl]ethanol?
2-[[(4Z,6Z,8Z)-deca-4,6,8-trien-5-yl]disulfanyl]ethanol has a molecular weight of 244.42 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4Z,6Z,8Z)-deca-4,6,8-trien-5-yl]disulfanyl]ethanol is sourced from PubChem (CID 142497796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).