ethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol

C10H20OS — CID 144974171

IUPACethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol
SMILESC/C=C(CO)\C(=C/C)CS.CC
InChIInChI=1S/C8H14OS.C2H6/c1-3-7(5-9)8(4-2)6-10;1-2/h3-4,9-10H,5-6H2,1-2H3;1-2H3/b7-3-,8-4-;
InChIKeyFDPUELOTFZTFDI-FQXRMGPMSA-N
MW188.34 g/mol
LogP2.83
Rot. Bonds3

About ethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol

ethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol (PubChem CID 144974171) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is ethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol.

Molecular Properties

Compound Nameethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol
PubChem CID144974171
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Nameethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol
SMILESC/C=C(CO)\C(=C/C)CS.CC
InChIInChI=1S/C8H14OS.C2H6/c1-3-7(5-9)8(4-2)6-10;1-2/h3-4,9-10H,5-6H2,1-2H3;1-2H3/b7-3-,8-4-;
InChIKeyFDPUELOTFZTFDI-FQXRMGPMSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.83
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

(2E)-5-methyl-2-(1-methylethenyl)-2,4-hexadien-1-ol
CID 57931928
5-Methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol
CID 76651099
(E)-2-ethyl-1-sulfanylbut-2-en-1-ol
CID 88893178
(2E,6E)-2,6-dimethyl-8-sulfanylocta-2,6-dien-1-ol
CID 88912397
(3Z,5E)-2-methylidene-5-sulfanylhepta-3,5-dien-1-ol
CID 89074754
(3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol
CID 89366187
(3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-2-ol
CID 117916834
(3Z,5Z)-3-ethenyl-6-(2-sulfanylethyl)octa-3,5,7-trien-1-ol
CID 138738701
methanethiol;(3E,4Z)-3-prop-2-enylidenehepta-4,6-dien-2-ol
CID 141782717
[(2Z,4Z)-2-ethenyl-3-(hydroxymethyl)hexa-2,4-dienyl] thiohypoiodite
CID 142320755
ethane;(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-ol
CID 142550241
ethane;(E)-2-prop-1-en-2-ylpent-2-en-1-ol
CID 143177819

Frequently Asked Questions

What is the IUPAC name of ethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol?
The IUPAC name of ethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol (CID 144974171) is ethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol.
What is the SMILES notation for ethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol?
The canonical SMILES for ethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol is C/C=C(CO)\C(=C/C)CS.CC.
What is the InChIKey of ethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol?
The InChIKey is FDPUELOTFZTFDI-FQXRMGPMSA-N. The full InChI is InChI=1S/C8H14OS.C2H6/c1-3-7(5-9)8(4-2)6-10;1-2/h3-4,9-10H,5-6H2,1-2H3;1-2H3/b7-3-,8-4-;.
What are the key properties of ethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol?
ethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol has a molecular weight of 188.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E,2E)-2-ethylidene-3-(sulfanylmethyl)pent-3-en-1-ol is sourced from PubChem (CID 144974171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).