1-(2-ethenyl-1,3-dithian-2-yl)cyclopentan-1-ol

C11H18OS2 — CID 12575577

IUPAC1-(2-ethenyl-1,3-dithian-2-yl)cyclopentan-1-ol
SMILESC=CC1(C2(O)CCCC2)SCCCS1
InChIInChI=1S/C11H18OS2/c1-2-11(13-8-5-9-14-11)10(12)6-3-4-7-10/h2,12H,1,3-9H2
InChIKeyNPBPMOWEPYFABF-UHFFFAOYSA-N
MW230.40 g/mol
LogP3.04
Rot. Bonds2

About 1-(2-ethenyl-1,3-dithian-2-yl)cyclopentan-1-ol

1-(2-ethenyl-1,3-dithian-2-yl)cyclopentan-1-ol (PubChem CID 12575577) has the molecular formula C11H18OS2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-(2-ethenyl-1,3-dithian-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-ethenyl-1,3-dithian-2-yl)cyclopentan-1-ol
PubChem CID12575577
Molecular FormulaC11H18OS2
Molecular Weight230.40 g/mol
Exact Mass230.08
IUPAC Name1-(2-ethenyl-1,3-dithian-2-yl)cyclopentan-1-ol
SMILESC=CC1(C2(O)CCCC2)SCCCS1
InChIInChI=1S/C11H18OS2/c1-2-11(13-8-5-9-14-11)10(12)6-3-4-7-10/h2,12H,1,3-9H2
InChIKeyNPBPMOWEPYFABF-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 53.04
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

(6R)-7-(1,3-dithian-2-ylidene)-4,6-dimethyloct-1-en-4-ol
CID 11471284
1-[(2R)-1-oxo-2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]cyclopentan-1-ol
CID 14738014
1-[(2-Ethenyl-1,3-dithian-2-yl)methyl]cyclopentan-1-ol
CID 102513538

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenyl-1,3-dithian-2-yl)cyclopentan-1-ol?
The IUPAC name of 1-(2-ethenyl-1,3-dithian-2-yl)cyclopentan-1-ol (CID 12575577) is 1-(2-ethenyl-1,3-dithian-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 1-(2-ethenyl-1,3-dithian-2-yl)cyclopentan-1-ol?
The canonical SMILES for 1-(2-ethenyl-1,3-dithian-2-yl)cyclopentan-1-ol is C=CC1(C2(O)CCCC2)SCCCS1.
What is the InChIKey of 1-(2-ethenyl-1,3-dithian-2-yl)cyclopentan-1-ol?
The InChIKey is NPBPMOWEPYFABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS2/c1-2-11(13-8-5-9-14-11)10(12)6-3-4-7-10/h2,12H,1,3-9H2.
What are the key properties of 1-(2-ethenyl-1,3-dithian-2-yl)cyclopentan-1-ol?
1-(2-ethenyl-1,3-dithian-2-yl)cyclopentan-1-ol has a molecular weight of 230.40 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-1,3-dithian-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 12575577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).