(Z,4R)-4-(1,3-dithian-2-yl)pent-2-en-1-ol

C9H16OS2 — CID 53305525

IUPAC(Z,4R)-4-(1,3-dithian-2-yl)pent-2-en-1-ol
SMILESC[C@H](/C=C\CO)C1SCCCS1
InChIInChI=1S/C9H16OS2/c1-8(4-2-5-10)9-11-6-3-7-12-9/h2,4,8-10H,3,5-7H2,1H3/b4-2-/t8-/m1/s1
InChIKeyGAEFSFHEDABDBO-DLRBJTRDSA-N
MW204.36 g/mol
LogP2.37
Rot. Bonds3

About (Z,4R)-4-(1,3-dithian-2-yl)pent-2-en-1-ol

(Z,4R)-4-(1,3-dithian-2-yl)pent-2-en-1-ol (PubChem CID 53305525) has the molecular formula C9H16OS2 and a molecular weight of 204.36 g/mol. Its IUPAC name is (Z,4R)-4-(1,3-dithian-2-yl)pent-2-en-1-ol.

Molecular Properties

Compound Name(Z,4R)-4-(1,3-dithian-2-yl)pent-2-en-1-ol
PubChem CID53305525
Molecular FormulaC9H16OS2
Molecular Weight204.36 g/mol
Exact Mass204.06
IUPAC Name(Z,4R)-4-(1,3-dithian-2-yl)pent-2-en-1-ol
SMILESC[C@H](/C=C\CO)C1SCCCS1
InChIInChI=1S/C9H16OS2/c1-8(4-2-5-10)9-11-6-3-7-12-9/h2,4,8-10H,3,5-7H2,1H3/b4-2-/t8-/m1/s1
InChIKeyGAEFSFHEDABDBO-DLRBJTRDSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 52.37
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
(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
(E)-5-[2-[(Z)-oct-2-enyl]-1,3-dithian-2-yl]pent-2-en-1-ol
CID 10805245

Frequently Asked Questions

What is the IUPAC name of (Z,4R)-4-(1,3-dithian-2-yl)pent-2-en-1-ol?
The IUPAC name of (Z,4R)-4-(1,3-dithian-2-yl)pent-2-en-1-ol (CID 53305525) is (Z,4R)-4-(1,3-dithian-2-yl)pent-2-en-1-ol.
What is the SMILES notation for (Z,4R)-4-(1,3-dithian-2-yl)pent-2-en-1-ol?
The canonical SMILES for (Z,4R)-4-(1,3-dithian-2-yl)pent-2-en-1-ol is C[C@H](/C=C\CO)C1SCCCS1.
What is the InChIKey of (Z,4R)-4-(1,3-dithian-2-yl)pent-2-en-1-ol?
The InChIKey is GAEFSFHEDABDBO-DLRBJTRDSA-N. The full InChI is InChI=1S/C9H16OS2/c1-8(4-2-5-10)9-11-6-3-7-12-9/h2,4,8-10H,3,5-7H2,1H3/b4-2-/t8-/m1/s1.
What are the key properties of (Z,4R)-4-(1,3-dithian-2-yl)pent-2-en-1-ol?
(Z,4R)-4-(1,3-dithian-2-yl)pent-2-en-1-ol has a molecular weight of 204.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R)-4-(1,3-dithian-2-yl)pent-2-en-1-ol is sourced from PubChem (CID 53305525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).