2-[1-(1,3-dithian-2-yl)cyclopent-3-en-1-yl]ethanol

C11H18OS2 — CID 10609518

IUPAC2-[1-(1,3-dithian-2-yl)cyclopent-3-en-1-yl]ethanol
SMILESOCCC1(C2SCCCS2)CC=CC1
InChIInChI=1S/C11H18OS2/c12-7-6-11(4-1-2-5-11)10-13-8-3-9-14-10/h1-2,10,12H,3-9H2
InChIKeyZFLPRQIFMKFRTP-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.90
Rot. Bonds3

About 2-[1-(1,3-dithian-2-yl)cyclopent-3-en-1-yl]ethanol

2-[1-(1,3-dithian-2-yl)cyclopent-3-en-1-yl]ethanol (PubChem CID 10609518) has the molecular formula C11H18OS2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-[1-(1,3-dithian-2-yl)cyclopent-3-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1,3-dithian-2-yl)cyclopent-3-en-1-yl]ethanol
PubChem CID10609518
Molecular FormulaC11H18OS2
Molecular Weight230.40 g/mol
Exact Mass230.08
IUPAC Name2-[1-(1,3-dithian-2-yl)cyclopent-3-en-1-yl]ethanol
SMILESOCCC1(C2SCCCS2)CC=CC1
InChIInChI=1S/C11H18OS2/c12-7-6-11(4-1-2-5-11)10-13-8-3-9-14-10/h1-2,10,12H,3-9H2
InChIKeyZFLPRQIFMKFRTP-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.90
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

(8A-(1,3-Dithiolan-2-YL)-1,5,8,8A-tetrahydro-4A(4H)-naphthalenyl)methanol
CID 13047885
[1-(Thian-4-yl)cyclopent-3-en-1-yl]methanol
CID 160104370
3-(1,3-Dithian-2-yl)-3-prop-2-enylhex-5-en-1-ol
CID 10563191
[6-(1,3-Dithiolan-2-yl)-1-methylcyclohex-3-en-1-yl]methanol
CID 13047888
[2-(4-Methylpent-3-enyl)-1,3-dithian-2-yl]methanol
CID 15059665
[(1S,6R)-6-(1,3-dithian-2-ylmethyl)cyclohex-3-en-1-yl]methanol
CID 57380241
[(1S,6R)-6-(1,3-Dithiolan-2-YL)-1-methyl-3-cyclohexen-1-YL]methanol
CID 95565158

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-dithian-2-yl)cyclopent-3-en-1-yl]ethanol?
The IUPAC name of 2-[1-(1,3-dithian-2-yl)cyclopent-3-en-1-yl]ethanol (CID 10609518) is 2-[1-(1,3-dithian-2-yl)cyclopent-3-en-1-yl]ethanol.
What is the SMILES notation for 2-[1-(1,3-dithian-2-yl)cyclopent-3-en-1-yl]ethanol?
The canonical SMILES for 2-[1-(1,3-dithian-2-yl)cyclopent-3-en-1-yl]ethanol is OCCC1(C2SCCCS2)CC=CC1.
What is the InChIKey of 2-[1-(1,3-dithian-2-yl)cyclopent-3-en-1-yl]ethanol?
The InChIKey is ZFLPRQIFMKFRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS2/c12-7-6-11(4-1-2-5-11)10-13-8-3-9-14-10/h1-2,10,12H,3-9H2.
What are the key properties of 2-[1-(1,3-dithian-2-yl)cyclopent-3-en-1-yl]ethanol?
2-[1-(1,3-dithian-2-yl)cyclopent-3-en-1-yl]ethanol has a molecular weight of 230.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-dithian-2-yl)cyclopent-3-en-1-yl]ethanol is sourced from PubChem (CID 10609518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).