(Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol

C9H16OS2 — CID 102129766

IUPAC(Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol
SMILESOC/C=C\CCC1SCCCS1
InChIInChI=1S/C9H16OS2/c10-6-3-1-2-5-9-11-7-4-8-12-9/h1,3,9-10H,2,4-8H2/b3-1-
InChIKeyODUICDQQEUCADT-IWQZZHSRSA-N
MW204.36 g/mol
LogP2.51
Rot. Bonds4

About (Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol

(Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol (PubChem CID 102129766) has the molecular formula C9H16OS2 and a molecular weight of 204.36 g/mol. Its IUPAC name is (Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol.

Molecular Properties

Compound Name(Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol
PubChem CID102129766
Molecular FormulaC9H16OS2
Molecular Weight204.36 g/mol
Exact Mass204.06
IUPAC Name(Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol
SMILESOC/C=C\CCC1SCCCS1
InChIInChI=1S/C9H16OS2/c10-6-3-1-2-5-9-11-7-4-8-12-9/h1,3,9-10H,2,4-8H2/b3-1-
InChIKeyODUICDQQEUCADT-IWQZZHSRSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 52.51
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
(E)-7-(1,3-dithian-2-yl)hept-4-en-3-ol
CID 135044471
2-methyl-3,6-dihydro-2H-thiopyran-6-ol
CID 89410051
(2E,4E)-5-[2-[(Z)-oct-2-enyl]-1,3-dithian-2-yl]penta-2,4-dien-1-ol
CID 10380831
(E)-5-[2-[(Z)-oct-2-enyl]-1,3-dithian-2-yl]pent-2-en-1-ol
CID 10805245
(E,2R)-7-(1,3-dithian-2-yl)hept-3-en-2-ol
CID 11031762
(E,4R)-4-propan-2-ylsulfanylpent-2-en-1-ol
CID 14364618

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol?
The IUPAC name of (Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol (CID 102129766) is (Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol.
What is the SMILES notation for (Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol?
The canonical SMILES for (Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol is OC/C=C\CCC1SCCCS1.
What is the InChIKey of (Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol?
The InChIKey is ODUICDQQEUCADT-IWQZZHSRSA-N. The full InChI is InChI=1S/C9H16OS2/c10-6-3-1-2-5-9-11-7-4-8-12-9/h1,3,9-10H,2,4-8H2/b3-1-.
What are the key properties of (Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol?
(Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol has a molecular weight of 204.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(1,3-dithian-2-yl)pent-2-en-1-ol is sourced from PubChem (CID 102129766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).