(E,3R)-1-methylsulfinylhex-1-en-3-ol

C7H14O2S — CID 10057837

IUPAC(E,3R)-1-methylsulfinylhex-1-en-3-ol
SMILESCCC[C@@H](O)/C=C/S(C)=O
InChIInChI=1S/C7H14O2S/c1-3-4-7(8)5-6-10(2)9/h5-8H,3-4H2,1-2H3/b6-5+/t7-,10?/m1/s1
InChIKeyVXOZEJFLXAPGRA-URRKYONFSA-N
MW162.25 g/mol
LogP1.04
Rot. Bonds4

About (E,3R)-1-methylsulfinylhex-1-en-3-ol

(E,3R)-1-methylsulfinylhex-1-en-3-ol (PubChem CID 10057837) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is (E,3R)-1-methylsulfinylhex-1-en-3-ol.

Molecular Properties

Compound Name(E,3R)-1-methylsulfinylhex-1-en-3-ol
PubChem CID10057837
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name(E,3R)-1-methylsulfinylhex-1-en-3-ol
SMILESCCC[C@@H](O)/C=C/S(C)=O
InChIInChI=1S/C7H14O2S/c1-3-4-7(8)5-6-10(2)9/h5-8H,3-4H2,1-2H3/b6-5+/t7-,10?/m1/s1
InChIKeyVXOZEJFLXAPGRA-URRKYONFSA-N
XLogP1.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E,3R)-1-methylsulfinylhex-1-en-3-ol?
The IUPAC name of (E,3R)-1-methylsulfinylhex-1-en-3-ol (CID 10057837) is (E,3R)-1-methylsulfinylhex-1-en-3-ol.
What is the SMILES notation for (E,3R)-1-methylsulfinylhex-1-en-3-ol?
The canonical SMILES for (E,3R)-1-methylsulfinylhex-1-en-3-ol is CCC[C@@H](O)/C=C/S(C)=O.
What is the InChIKey of (E,3R)-1-methylsulfinylhex-1-en-3-ol?
The InChIKey is VXOZEJFLXAPGRA-URRKYONFSA-N. The full InChI is InChI=1S/C7H14O2S/c1-3-4-7(8)5-6-10(2)9/h5-8H,3-4H2,1-2H3/b6-5+/t7-,10?/m1/s1.
What are the key properties of (E,3R)-1-methylsulfinylhex-1-en-3-ol?
(E,3R)-1-methylsulfinylhex-1-en-3-ol has a molecular weight of 162.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-1-methylsulfinylhex-1-en-3-ol is sourced from PubChem (CID 10057837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).