(2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol

C14H26O3S2 — CID 71713877

IUPAC(2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol
SMILESC[C@H](CO)C1(CCOC2CCCCO2)SCCCS1
InChIInChI=1S/C14H26O3S2/c1-12(11-15)14(18-9-4-10-19-14)6-8-17-13-5-2-3-7-16-13/h12-13,15H,2-11H2,1H3/t12-,13?/m1/s1
InChIKeyRNRJUHYZZXJOKN-PZORYLMUSA-N
MW306.49 g/mol
LogP3.11
Rot. Bonds6

About (2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol

(2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol (PubChem CID 71713877) has the molecular formula C14H26O3S2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol
PubChem CID71713877
Molecular FormulaC14H26O3S2
Molecular Weight306.49 g/mol
Exact Mass306.13
IUPAC Name(2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol
SMILESC[C@H](CO)C1(CCOC2CCCCO2)SCCCS1
InChIInChI=1S/C14H26O3S2/c1-12(11-15)14(18-9-4-10-19-14)6-8-17-13-5-2-3-7-16-13/h12-13,15H,2-11H2,1H3/t12-,13?/m1/s1
InChIKeyRNRJUHYZZXJOKN-PZORYLMUSA-N
XLogP3.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol (CID 71713877) is (2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol is C[C@H](CO)C1(CCOC2CCCCO2)SCCCS1.
What is the InChIKey of (2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol?
The InChIKey is RNRJUHYZZXJOKN-PZORYLMUSA-N. The full InChI is InChI=1S/C14H26O3S2/c1-12(11-15)14(18-9-4-10-19-14)6-8-17-13-5-2-3-7-16-13/h12-13,15H,2-11H2,1H3/t12-,13?/m1/s1.
What are the key properties of (2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol?
(2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol has a molecular weight of 306.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol is sourced from PubChem (CID 71713877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).