(Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol

C14H28OS2 — CID 15162955

IUPAC(Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol
SMILESCCCCC/C=C\C[C@@H](O)C(SCC)SCC
InChIInChI=1S/C14H28OS2/c1-4-7-8-9-10-11-12-13(15)14(16-5-2)17-6-3/h10-11,13-15H,4-9,12H2,1-3H3/b11-10-/t13-/m1/s1
InChIKeyXREHZIXWKOSZHG-BSYHEUMXSA-N
MW276.51 g/mol
LogP4.71
Rot. Bonds11

About (Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol

(Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol (PubChem CID 15162955) has the molecular formula C14H28OS2 and a molecular weight of 276.51 g/mol. Its IUPAC name is (Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol.

Molecular Properties

Compound Name(Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol
PubChem CID15162955
Molecular FormulaC14H28OS2
Molecular Weight276.51 g/mol
Exact Mass276.16
IUPAC Name(Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol
SMILESCCCCC/C=C\C[C@@H](O)C(SCC)SCC
InChIInChI=1S/C14H28OS2/c1-4-7-8-9-10-11-12-13(15)14(16-5-2)17-6-3/h10-11,13-15H,4-9,12H2,1-3H3/b11-10-/t13-/m1/s1
InChIKeyXREHZIXWKOSZHG-BSYHEUMXSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(1,3-dithian-2-yl)pent-4-en-2-ol
CID 11117182
(5E)-3-(isopropylsulfanyl)-1,5-heptadien-4-ol
CID 13263785
(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-ol
CID 101526097
(1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol
CID 130930746
4-Propan-2-ylsulfanylhex-5-en-3-ol
CID 134906015
6-Hydroxy-7,7-dimethyl-oct-3-enedithioic acid, isopropyl ester
CID 5367804
6-Hydroxy-7-methyl-oct-3-enedithioic acid, isopropyl ester
CID 5368960
(Z)-1-(1,3-dithian-2-yl)-4-iodohex-4-en-2-ol
CID 101394706
7-Propylsulfanylhept-1-en-4-ol
CID 57677899
(3S,4R,6Z)-3-cyclohexylsulfanyldodeca-1,6-dien-4-ol
CID 89340575
1-(2-Hydroxyhept-5-enylsulfanyl)hept-5-en-2-ol
CID 141332383
1-(2-Hydroxyhex-4-enylsulfanyl)hex-4-en-2-ol
CID 141429813

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol?
The IUPAC name of (Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol (CID 15162955) is (Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol.
What is the SMILES notation for (Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol?
The canonical SMILES for (Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol is CCCCC/C=C\C[C@@H](O)C(SCC)SCC.
What is the InChIKey of (Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol?
The InChIKey is XREHZIXWKOSZHG-BSYHEUMXSA-N. The full InChI is InChI=1S/C14H28OS2/c1-4-7-8-9-10-11-12-13(15)14(16-5-2)17-6-3/h10-11,13-15H,4-9,12H2,1-3H3/b11-10-/t13-/m1/s1.
What are the key properties of (Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol?
(Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol has a molecular weight of 276.51 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-1,1-bis(ethylsulfanyl)dec-4-en-2-ol is sourced from PubChem (CID 15162955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).