(1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol

C15H28O2S2 — CID 135030457

IUPAC(1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol
SMILESCCCCC[C@@H](O)C1(CC/C=C/CO)SCCCS1
InChIInChI=1S/C15H28O2S2/c1-2-3-5-9-14(17)15(10-6-4-7-11-16)18-12-8-13-19-15/h4,7,14,16-17H,2-3,5-6,8-13H2,1H3/b7-4+/t14-/m1/s1
InChIKeyZGQSTLZYFQWOGG-BTKRWWFXSA-N
MW304.52 g/mol
LogP3.82
Rot. Bonds9

About (1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol

(1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol (PubChem CID 135030457) has the molecular formula C15H28O2S2 and a molecular weight of 304.52 g/mol. Its IUPAC name is (1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol
PubChem CID135030457
Molecular FormulaC15H28O2S2
Molecular Weight304.52 g/mol
Exact Mass304.15
IUPAC Name(1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol
SMILESCCCCC[C@@H](O)C1(CC/C=C/CO)SCCCS1
InChIInChI=1S/C15H28O2S2/c1-2-3-5-9-14(17)15(10-6-4-7-11-16)18-12-8-13-19-15/h4,7,14,16-17H,2-3,5-6,8-13H2,1H3/b7-4+/t14-/m1/s1
InChIKeyZGQSTLZYFQWOGG-BTKRWWFXSA-N
XLogP3.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-Ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol
CID 10398906
(2S)-1-(2-pent-4-enyl-1,3-dithian-2-yl)propan-2-ol
CID 10490690
(e)-1-(2-Methyl-1,3-dithian-2-yl)hex-2-en-1-ol
CID 101120970
(E)-1-[2-(hydroxymethyl)-1,3-dithian-2-yl]-2-methylbut-2-en-1-ol
CID 11356765
(2S)-1-(2-but-3-enyl-1,3-dithian-2-yl)propan-2-ol
CID 14358973
(E)-7-[2-[(1R)-1-hydroxyhexyl]-1,3-dithian-2-yl]hept-4-en-3-ol
CID 135030724
(E)-7-(1,3-dithian-2-yl)hept-4-en-3-ol
CID 135044471
6-(1,1,2,2,3,3,4,4-Octafluorobutyl)-6-propylsulfanyl-2,5-dihydrothiopyran-5-ol
CID 15312188
2-Cyclohexen-1-ol, 3-(2-methyl-m-dithian-2-yl)-
CID 615410
5-(2-But-3-enyl-1,3-dithian-2-yl)pentan-2-ol
CID 10901377
(3S)-4-[2-[(E)-pent-3-enyl]-1,3-dithian-2-yl]butane-1,3-diol
CID 10901871
5-(2-Pent-4-enyl-1,3-dithian-2-yl)pentan-2-ol
CID 11737426

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol?
The IUPAC name of (1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol (CID 135030457) is (1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol.
What is the SMILES notation for (1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol?
The canonical SMILES for (1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol is CCCCC[C@@H](O)C1(CC/C=C/CO)SCCCS1.
What is the InChIKey of (1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol?
The InChIKey is ZGQSTLZYFQWOGG-BTKRWWFXSA-N. The full InChI is InChI=1S/C15H28O2S2/c1-2-3-5-9-14(17)15(10-6-4-7-11-16)18-12-8-13-19-15/h4,7,14,16-17H,2-3,5-6,8-13H2,1H3/b7-4+/t14-/m1/s1.
What are the key properties of (1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol?
(1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol has a molecular weight of 304.52 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol is sourced from PubChem (CID 135030457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).