(2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol

C10H18OS2 — CID 10013667

IUPAC(2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol
SMILESCCC[C@H](C=C1SCCCS1)CO
InChIInChI=1S/C10H18OS2/c1-2-4-9(8-11)7-10-12-5-3-6-13-10/h7,9,11H,2-6,8H2,1H3/t9-/m1/s1
InChIKeyBNFZZGYUZYMLSQ-SECBINFHSA-N
MW218.39 g/mol
LogP3.11
Rot. Bonds4

About (2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol

(2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol (PubChem CID 10013667) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is (2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol.

Molecular Properties

Compound Name(2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol
PubChem CID10013667
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name(2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol
SMILESCCC[C@H](C=C1SCCCS1)CO
InChIInChI=1S/C10H18OS2/c1-2-4-9(8-11)7-10-12-5-3-6-13-10/h7,9,11H,2-6,8H2,1H3/t9-/m1/s1
InChIKeyBNFZZGYUZYMLSQ-SECBINFHSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol?
The IUPAC name of (2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol (CID 10013667) is (2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol.
What is the SMILES notation for (2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol?
The canonical SMILES for (2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol is CCC[C@H](C=C1SCCCS1)CO.
What is the InChIKey of (2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol?
The InChIKey is BNFZZGYUZYMLSQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H18OS2/c1-2-4-9(8-11)7-10-12-5-3-6-13-10/h7,9,11H,2-6,8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol?
(2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol has a molecular weight of 218.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dithian-2-ylidenemethyl)pentan-1-ol is sourced from PubChem (CID 10013667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).