(2R)-1-(2-ethenyl-1,3-dithian-2-yl)propan-2-ol

C9H16OS2 — CID 102513535

IUPAC(2R)-1-(2-ethenyl-1,3-dithian-2-yl)propan-2-ol
SMILESC=CC1(C[C@@H](C)O)SCCCS1
InChIInChI=1S/C9H16OS2/c1-3-9(7-8(2)10)11-5-4-6-12-9/h3,8,10H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyXMEBLPUKQGIILC-MRVPVSSYSA-N
MW204.36 g/mol
LogP2.51
Rot. Bonds3

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

(2R)-1-(2-ethenyl-1,3-dithian-2-yl)propan-2-ol (PubChem CID 102513535) has the molecular formula C9H16OS2 and a molecular weight of 204.36 g/mol. Its IUPAC name is (2R)-1-(2-ethenyl-1,3-dithian-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-ethenyl-1,3-dithian-2-yl)propan-2-ol
PubChem CID102513535
Molecular FormulaC9H16OS2
Molecular Weight204.36 g/mol
Exact Mass204.06
IUPAC Name(2R)-1-(2-ethenyl-1,3-dithian-2-yl)propan-2-ol
SMILESC=CC1(C[C@@H](C)O)SCCCS1
InChIInChI=1S/C9H16OS2/c1-3-9(7-8(2)10)11-5-4-6-12-9/h3,8,10H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyXMEBLPUKQGIILC-MRVPVSSYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 52.51
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

(2S)-1-(2-pent-4-enyl-1,3-dithian-2-yl)propan-2-ol
CID 10490690
5-(1,3-Dithian-2-ylidene)pentan-1-ol
CID 101142389
(2S)-1-(1,3-dithian-2-yl)pent-4-en-2-ol
CID 11117182
(2S)-1-(2-but-3-enyl-1,3-dithian-2-yl)propan-2-ol
CID 14358973
(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-ol
CID 101526097
4-Propan-2-ylsulfanylhex-5-en-3-ol
CID 134906015
(s)-4-(2-Vinyl-1,3-dithian-2-yl)butan-2-ol
CID 145997421
1-(1,3-Dithian-2-yl)hept-6-en-3-ol
CID 583233
5-(2-But-3-enyl-1,3-dithian-2-yl)pentan-2-ol
CID 10901377
5-(2-Pent-4-enyl-1,3-dithian-2-yl)pentan-2-ol
CID 11737426
1,3-Dithiane-2-propanol, alpha-3-butenyl-, (R)-
CID 14683343
7-Propylsulfanylhept-1-en-4-ol
CID 57677899

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethenyl-1,3-dithian-2-yl)propan-2-ol?
The IUPAC name of (2R)-1-(2-ethenyl-1,3-dithian-2-yl)propan-2-ol (CID 102513535) is (2R)-1-(2-ethenyl-1,3-dithian-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-ethenyl-1,3-dithian-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(2-ethenyl-1,3-dithian-2-yl)propan-2-ol is C=CC1(C[C@@H](C)O)SCCCS1.
What is the InChIKey of (2R)-1-(2-ethenyl-1,3-dithian-2-yl)propan-2-ol?
The InChIKey is XMEBLPUKQGIILC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16OS2/c1-3-9(7-8(2)10)11-5-4-6-12-9/h3,8,10H,1,4-7H2,2H3/t8-/m1/s1.
What are the key properties of (2R)-1-(2-ethenyl-1,3-dithian-2-yl)propan-2-ol?
(2R)-1-(2-ethenyl-1,3-dithian-2-yl)propan-2-ol has a molecular weight of 204.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethenyl-1,3-dithian-2-yl)propan-2-ol is sourced from PubChem (CID 102513535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).