(E)-3-ethenylsulfanylhex-2-en-2-ol

C8H14OS — CID 143844494

IUPAC(E)-3-ethenylsulfanylhex-2-en-2-ol
SMILESC=CS/C(CCC)=C(\C)O
InChIInChI=1S/C8H14OS/c1-4-6-8(7(3)9)10-5-2/h5,9H,2,4,6H2,1,3H3/b8-7+
InChIKeyDPPXWWQQPQZAJR-BQYQJAHWSA-N
MW158.27 g/mol
LogP3.45
Rot. Bonds4

About (E)-3-ethenylsulfanylhex-2-en-2-ol

(E)-3-ethenylsulfanylhex-2-en-2-ol (PubChem CID 143844494) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (E)-3-ethenylsulfanylhex-2-en-2-ol.

Molecular Properties

Compound Name(E)-3-ethenylsulfanylhex-2-en-2-ol
PubChem CID143844494
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(E)-3-ethenylsulfanylhex-2-en-2-ol
SMILESC=CS/C(CCC)=C(\C)O
InChIInChI=1S/C8H14OS/c1-4-6-8(7(3)9)10-5-2/h5,9H,2,4,6H2,1,3H3/b8-7+
InChIKeyDPPXWWQQPQZAJR-BQYQJAHWSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-ethenylsulfanylpent-2-ene
CID 142149125
(E)-3-propyloct-2-en-2-ol
CID 142123066
(3Z)-hepta-1,3-dien-4-ol
CID 23128228
methane;2-methylpent-1-ene;bis(prop-1-ene)
CID 159090973
hepta-1,3-diene-3,4-diol
CID 140987988
butane;but-1-ene;2-methylprop-1-ene
CID 158176864
octa-1,3-diene-3,5-diol
CID 140987996
3-methylhept-2-en-2-ol
CID 73309482
butane;pentane;prop-1-ene
CID 144903825
ethenol;hexane
CID 22706833
3,4-dimethylocta-1,3-diene
CID 54003351
acetic acid;butanoic acid;prop-2-enenitrile
CID 87328549

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethenylsulfanylhex-2-en-2-ol?
The IUPAC name of (E)-3-ethenylsulfanylhex-2-en-2-ol (CID 143844494) is (E)-3-ethenylsulfanylhex-2-en-2-ol.
What is the SMILES notation for (E)-3-ethenylsulfanylhex-2-en-2-ol?
The canonical SMILES for (E)-3-ethenylsulfanylhex-2-en-2-ol is C=CS/C(CCC)=C(\C)O.
What is the InChIKey of (E)-3-ethenylsulfanylhex-2-en-2-ol?
The InChIKey is DPPXWWQQPQZAJR-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H14OS/c1-4-6-8(7(3)9)10-5-2/h5,9H,2,4,6H2,1,3H3/b8-7+.
What are the key properties of (E)-3-ethenylsulfanylhex-2-en-2-ol?
(E)-3-ethenylsulfanylhex-2-en-2-ol has a molecular weight of 158.27 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethenylsulfanylhex-2-en-2-ol is sourced from PubChem (CID 143844494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).