(E)-4-(1,3-dithian-2-yl)-4-methylpent-2-en-1-ol

C10H18OS2 — CID 15734290

IUPAC(E)-4-(1,3-dithian-2-yl)-4-methylpent-2-en-1-ol
SMILESCC(C)(/C=C/CO)C1SCCCS1
InChIInChI=1S/C10H18OS2/c1-10(2,5-3-6-11)9-12-7-4-8-13-9/h3,5,9,11H,4,6-8H2,1-2H3/b5-3+
InChIKeyHWUYMIZEAHFAFR-HWKANZROSA-N
MW218.39 g/mol
LogP2.76
Rot. Bonds3

About (E)-4-(1,3-dithian-2-yl)-4-methylpent-2-en-1-ol

(E)-4-(1,3-dithian-2-yl)-4-methylpent-2-en-1-ol (PubChem CID 15734290) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is (E)-4-(1,3-dithian-2-yl)-4-methylpent-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(1,3-dithian-2-yl)-4-methylpent-2-en-1-ol
PubChem CID15734290
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name(E)-4-(1,3-dithian-2-yl)-4-methylpent-2-en-1-ol
SMILESCC(C)(/C=C/CO)C1SCCCS1
InChIInChI=1S/C10H18OS2/c1-10(2,5-3-6-11)9-12-7-4-8-13-9/h3,5,9,11H,4,6-8H2,1-2H3/b5-3+
InChIKeyHWUYMIZEAHFAFR-HWKANZROSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(1,3-dithian-2-yl)but-2-en-1-ol
CID 12595238
(e)-1-(2-Methyl-1,3-dithian-2-yl)hex-2-en-1-ol
CID 101120970
(Z)-4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol
CID 19879270
(E)-4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol
CID 22845811
4-(1,3-Dithian-2-yl)-2-fluorobut-2-en-1-ol
CID 54362871
4-(1,3-Dithian-2-yl)but-2-en-1-ol
CID 75032944
(Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol
CID 102129766
(E)-7-(1,3-dithian-2-yl)hept-4-en-3-ol
CID 135044471
2-Methyl-4,4-bis(prop-2-enylsulfanylmethyl)cyclohexa-2,5-dien-1-ol
CID 69728176
(2E,6E,10E)-3,7,11-trimethyl-12-[2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]-1,3-dithian-2-yl]dodeca-2,6,10-trien-1-ol
CID 118040264
3,7,11-Trimethyl-12-[2-(2,6,10-trimethylundeca-1,5,9-trienyl)-1,3-dithian-2-yl]dodeca-2,6,10-trien-1-ol
CID 123991450
(2E,4E)-5-[2-[(Z)-oct-2-enyl]-1,3-dithian-2-yl]penta-2,4-dien-1-ol
CID 10380831

Frequently Asked Questions

What is the IUPAC name of (E)-4-(1,3-dithian-2-yl)-4-methylpent-2-en-1-ol?
The IUPAC name of (E)-4-(1,3-dithian-2-yl)-4-methylpent-2-en-1-ol (CID 15734290) is (E)-4-(1,3-dithian-2-yl)-4-methylpent-2-en-1-ol.
What is the SMILES notation for (E)-4-(1,3-dithian-2-yl)-4-methylpent-2-en-1-ol?
The canonical SMILES for (E)-4-(1,3-dithian-2-yl)-4-methylpent-2-en-1-ol is CC(C)(/C=C/CO)C1SCCCS1.
What is the InChIKey of (E)-4-(1,3-dithian-2-yl)-4-methylpent-2-en-1-ol?
The InChIKey is HWUYMIZEAHFAFR-HWKANZROSA-N. The full InChI is InChI=1S/C10H18OS2/c1-10(2,5-3-6-11)9-12-7-4-8-13-9/h3,5,9,11H,4,6-8H2,1-2H3/b5-3+.
What are the key properties of (E)-4-(1,3-dithian-2-yl)-4-methylpent-2-en-1-ol?
(E)-4-(1,3-dithian-2-yl)-4-methylpent-2-en-1-ol has a molecular weight of 218.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(1,3-dithian-2-yl)-4-methylpent-2-en-1-ol is sourced from PubChem (CID 15734290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).