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

C10H18OS2 — CID 102513536

IUPAC(2R)-1-(2-ethenyl-1,3-dithian-2-yl)butan-2-ol
SMILESC=CC1(C[C@H](O)CC)SCCCS1
InChIInChI=1S/C10H18OS2/c1-3-9(11)8-10(4-2)12-6-5-7-13-10/h4,9,11H,2-3,5-8H2,1H3/t9-/m1/s1
InChIKeyDHVTZHKYOBGRRF-SECBINFHSA-N
MW218.39 g/mol
LogP2.90
Rot. Bonds4

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

(2R)-1-(2-ethenyl-1,3-dithian-2-yl)butan-2-ol (PubChem CID 102513536) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is (2R)-1-(2-ethenyl-1,3-dithian-2-yl)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-ethenyl-1,3-dithian-2-yl)butan-2-ol
PubChem CID102513536
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name(2R)-1-(2-ethenyl-1,3-dithian-2-yl)butan-2-ol
SMILESC=CC1(C[C@H](O)CC)SCCCS1
InChIInChI=1S/C10H18OS2/c1-3-9(11)8-10(4-2)12-6-5-7-13-10/h4,9,11H,2-3,5-8H2,1H3/t9-/m1/s1
InChIKeyDHVTZHKYOBGRRF-SECBINFHSA-N
XLogP2.90
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 ≤ 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

(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
(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
(E)-3-bromo-1-(2-propyl-1,3-dithian-2-yl)prop-2-en-1-ol
CID 20390686
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)butan-2-ol?
The IUPAC name of (2R)-1-(2-ethenyl-1,3-dithian-2-yl)butan-2-ol (CID 102513536) is (2R)-1-(2-ethenyl-1,3-dithian-2-yl)butan-2-ol.
What is the SMILES notation for (2R)-1-(2-ethenyl-1,3-dithian-2-yl)butan-2-ol?
The canonical SMILES for (2R)-1-(2-ethenyl-1,3-dithian-2-yl)butan-2-ol is C=CC1(C[C@H](O)CC)SCCCS1.
What is the InChIKey of (2R)-1-(2-ethenyl-1,3-dithian-2-yl)butan-2-ol?
The InChIKey is DHVTZHKYOBGRRF-SECBINFHSA-N. The full InChI is InChI=1S/C10H18OS2/c1-3-9(11)8-10(4-2)12-6-5-7-13-10/h4,9,11H,2-3,5-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-(2-ethenyl-1,3-dithian-2-yl)butan-2-ol?
(2R)-1-(2-ethenyl-1,3-dithian-2-yl)butan-2-ol has a molecular weight of 218.39 g/mol, XLogP of 2.90, 4 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)butan-2-ol is sourced from PubChem (CID 102513536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).