ethene;5-[(E)-2-ethenylbut-2-enyl]sulfanylpentan-2-ol

C13H24OS — CID 143267769

IUPACethene;5-[(E)-2-ethenylbut-2-enyl]sulfanylpentan-2-ol
SMILESC=C.C=C/C(=C\C)CSCCCC(C)O
InChIInChI=1S/C11H20OS.C2H4/c1-4-11(5-2)9-13-8-6-7-10(3)12;1-2/h4-5,10,12H,1,6-9H2,2-3H3;1-2H2/b11-5+;
InChIKeyYRXCVEOBDWQTSR-HMXKFKBXSA-N
MW228.40 g/mol
LogP3.82
Rot. Bonds7

About ethene;5-[(E)-2-ethenylbut-2-enyl]sulfanylpentan-2-ol

ethene;5-[(E)-2-ethenylbut-2-enyl]sulfanylpentan-2-ol (PubChem CID 143267769) has the molecular formula C13H24OS and a molecular weight of 228.40 g/mol. Its IUPAC name is ethene;5-[(E)-2-ethenylbut-2-enyl]sulfanylpentan-2-ol.

Molecular Properties

Compound Nameethene;5-[(E)-2-ethenylbut-2-enyl]sulfanylpentan-2-ol
PubChem CID143267769
Molecular FormulaC13H24OS
Molecular Weight228.40 g/mol
Exact Mass228.15
IUPAC Nameethene;5-[(E)-2-ethenylbut-2-enyl]sulfanylpentan-2-ol
SMILESC=C.C=C/C(=C\C)CSCCCC(C)O
InChIInChI=1S/C11H20OS.C2H4/c1-4-11(5-2)9-13-8-6-7-10(3)12;1-2/h4-5,10,12H,1,6-9H2,2-3H3;1-2H2/b11-5+;
InChIKeyYRXCVEOBDWQTSR-HMXKFKBXSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpentan-2-ol
CID 143267705
ethane;6-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-thiopyran-3-ol
CID 156881993
4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol
CID 25223319
1-Propylsulfanylhex-5-en-2-ol
CID 65129712
1-Ethylsulfanylhex-5-en-2-ol
CID 65130744
1-Propan-2-ylsulfanylhex-5-en-2-ol
CID 65131468
1-Tert-butylsulfanylhept-6-en-2-ol
CID 65132539
1-Tert-butylsulfanylhex-5-en-2-ol
CID 65132540
1-(2-Methylpropylsulfanyl)hex-5-en-2-ol
CID 65135109
1-Butan-2-ylsulfanylhex-5-en-2-ol
CID 65136119
1-Ethylsulfanyl-4-methylpent-4-en-2-ol
CID 79177162
4-Methyl-1-propylsulfanylpent-4-en-2-ol
CID 79177163

Frequently Asked Questions

What is the IUPAC name of ethene;5-[(E)-2-ethenylbut-2-enyl]sulfanylpentan-2-ol?
The IUPAC name of ethene;5-[(E)-2-ethenylbut-2-enyl]sulfanylpentan-2-ol (CID 143267769) is ethene;5-[(E)-2-ethenylbut-2-enyl]sulfanylpentan-2-ol.
What is the SMILES notation for ethene;5-[(E)-2-ethenylbut-2-enyl]sulfanylpentan-2-ol?
The canonical SMILES for ethene;5-[(E)-2-ethenylbut-2-enyl]sulfanylpentan-2-ol is C=C.C=C/C(=C\C)CSCCCC(C)O.
What is the InChIKey of ethene;5-[(E)-2-ethenylbut-2-enyl]sulfanylpentan-2-ol?
The InChIKey is YRXCVEOBDWQTSR-HMXKFKBXSA-N. The full InChI is InChI=1S/C11H20OS.C2H4/c1-4-11(5-2)9-13-8-6-7-10(3)12;1-2/h4-5,10,12H,1,6-9H2,2-3H3;1-2H2/b11-5+;.
What are the key properties of ethene;5-[(E)-2-ethenylbut-2-enyl]sulfanylpentan-2-ol?
ethene;5-[(E)-2-ethenylbut-2-enyl]sulfanylpentan-2-ol has a molecular weight of 228.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;5-[(E)-2-ethenylbut-2-enyl]sulfanylpentan-2-ol is sourced from PubChem (CID 143267769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).