4-(2-methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol

C10H16O3S — CID 163463879

IUPAC4-(2-methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol
SMILESC=C=C(C)CC1(O)CCS(=O)(=O)CC1
InChIInChI=1S/C10H16O3S/c1-3-9(2)8-10(11)4-6-14(12,13)7-5-10/h11H,1,4-8H2,2H3
InChIKeyBQWMSHFMUZFCBU-UHFFFAOYSA-N
MW216.30 g/mol
LogP1.05
Rot. Bonds2

About 4-(2-methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol

4-(2-methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol (PubChem CID 163463879) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is 4-(2-methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol.

Molecular Properties

Compound Name4-(2-methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol
PubChem CID163463879
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Name4-(2-methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol
SMILESC=C=C(C)CC1(O)CCS(=O)(=O)CC1
InChIInChI=1S/C10H16O3S/c1-3-9(2)8-10(11)4-6-14(12,13)7-5-10/h11H,1,4-8H2,2H3
InChIKeyBQWMSHFMUZFCBU-UHFFFAOYSA-N
XLogP1.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-Tetrahydro-2,5-dimethyl-4-vinyl-thiopyran-4-ol 1,1-dioxide
CID 129803724
trans-Tetrahydro-2,5-dimethyl-4-vinylthiopyran-4-ol 1,1-dioxide
CID 129803890
2-Methyl-1-[2-(2-methylprop-1-enyl)-1,3-dithian-2-yl]-4-methylsulfonylbutan-2-ol
CID 46215752
1-Ethylsulfonyl-4-methyloct-7-en-4-ol
CID 104656367
3-Methyl-1-methylsulfonylhept-6-en-3-ol
CID 114983214
3-Hydroxy-3-(prop-2-en-1-yl)-1lambda6-thiane-1,1-dione
CID 165441258

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol?
The IUPAC name of 4-(2-methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol (CID 163463879) is 4-(2-methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol.
What is the SMILES notation for 4-(2-methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol?
The canonical SMILES for 4-(2-methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol is C=C=C(C)CC1(O)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(2-methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol?
The InChIKey is BQWMSHFMUZFCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3S/c1-3-9(2)8-10(11)4-6-14(12,13)7-5-10/h11H,1,4-8H2,2H3.
What are the key properties of 4-(2-methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol?
4-(2-methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol has a molecular weight of 216.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbuta-2,3-dienyl)-1,1-dioxothian-4-ol is sourced from PubChem (CID 163463879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).