(3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol

C10H18OS2 — CID 11378984

IUPAC(3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol
SMILESCC(=C1SCCCS1)[C@H](C)CCO
InChIInChI=1S/C10H18OS2/c1-8(4-5-11)9(2)10-12-6-3-7-13-10/h8,11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyLOHXRWYIDQOSIG-MRVPVSSYSA-N
MW218.39 g/mol
LogP3.11
Rot. Bonds3

About (3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol

(3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol (PubChem CID 11378984) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is (3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol.

Molecular Properties

Compound Name(3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol
PubChem CID11378984
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name(3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol
SMILESCC(=C1SCCCS1)[C@H](C)CCO
InChIInChI=1S/C10H18OS2/c1-8(4-5-11)9(2)10-12-6-3-7-13-10/h8,11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyLOHXRWYIDQOSIG-MRVPVSSYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol?
The IUPAC name of (3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol (CID 11378984) is (3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol.
What is the SMILES notation for (3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol?
The canonical SMILES for (3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol is CC(=C1SCCCS1)[C@H](C)CCO.
What is the InChIKey of (3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol?
The InChIKey is LOHXRWYIDQOSIG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18OS2/c1-8(4-5-11)9(2)10-12-6-3-7-13-10/h8,11H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol?
(3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol has a molecular weight of 218.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(1,3-dithian-2-ylidene)-3-methylpentan-1-ol is sourced from PubChem (CID 11378984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).