ethene;1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol

C17H32OS — CID 143267709

IUPACethene;1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol
SMILESC=C.C=C/C(=C\C)CSCCCC(O)CCC(C)C
InChIInChI=1S/C15H28OS.C2H4/c1-5-14(6-2)12-17-11-7-8-15(16)10-9-13(3)4;1-2/h5-6,13,15-16H,1,7-12H2,2-4H3;1-2H2/b14-6+;
InChIKeyCXOJAAIAPBJIMF-JSSTZBRYSA-N
MW284.51 g/mol
LogP5.23
Rot. Bonds10

About ethene;1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol

ethene;1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol (PubChem CID 143267709) has the molecular formula C17H32OS and a molecular weight of 284.51 g/mol. Its IUPAC name is ethene;1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol.

Molecular Properties

Compound Nameethene;1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol
PubChem CID143267709
Molecular FormulaC17H32OS
Molecular Weight284.51 g/mol
Exact Mass284.22
IUPAC Nameethene;1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol
SMILESC=C.C=C/C(=C\C)CSCCCC(O)CCC(C)C
InChIInChI=1S/C15H28OS.C2H4/c1-5-14(6-2)12-17-11-7-8-15(16)10-9-13(3)4;1-2/h5-6,13,15-16H,1,7-12H2,2-4H3;1-2H2/b14-6+;
InChIKeyCXOJAAIAPBJIMF-JSSTZBRYSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.51
LogP ≤ 55.23
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

(1-Cyclohexa-2,4-dien-1-yl-1-hydroxy-2-methylpropan-2-yl)-dioctylsulfanium
CID 59999978
1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]sulfanyl-7-methyloctan-4-ol
CID 143267601
1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol
CID 143267710

Frequently Asked Questions

What is the IUPAC name of ethene;1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol?
The IUPAC name of ethene;1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol (CID 143267709) is ethene;1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol.
What is the SMILES notation for ethene;1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol?
The canonical SMILES for ethene;1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol is C=C.C=C/C(=C\C)CSCCCC(O)CCC(C)C.
What is the InChIKey of ethene;1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol?
The InChIKey is CXOJAAIAPBJIMF-JSSTZBRYSA-N. The full InChI is InChI=1S/C15H28OS.C2H4/c1-5-14(6-2)12-17-11-7-8-15(16)10-9-13(3)4;1-2/h5-6,13,15-16H,1,7-12H2,2-4H3;1-2H2/b14-6+;.
What are the key properties of ethene;1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol?
ethene;1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol has a molecular weight of 284.51 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-[(E)-2-ethenylbut-2-enyl]sulfanyl-7-methyloctan-4-ol is sourced from PubChem (CID 143267709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).