6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde

C11H14O2S — CID 126983872

IUPAC6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde
SMILESCc1ccsc1C1CCCC(C=O)O1
InChIInChI=1S/C11H14O2S/c1-8-5-6-14-11(8)10-4-2-3-9(7-12)13-10/h5-7,9-10H,2-4H2,1H3
InChIKeyKHRYHYVRRFBLMV-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.87
Rot. Bonds2

About 6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde

6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde (PubChem CID 126983872) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde.

Molecular Properties

Compound Name6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde
PubChem CID126983872
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde
SMILESCc1ccsc1C1CCCC(C=O)O1
InChIInChI=1S/C11H14O2S/c1-8-5-6-14-11(8)10-4-2-3-9(7-12)13-10/h5-7,9-10H,2-4H2,1H3
InChIKeyKHRYHYVRRFBLMV-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(3-bromothiophen-2-yl)oxane-2-carbaldehyde
CID 130584913
6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde
CID 131113761
5-(4-methylphenyl)oxolane-2-carbaldehyde
CID 130584653
2-(3-chlorocyclohexyl)-3-methylthiophene
CID 79996094
[6-(3-chlorothiophen-2-yl)oxan-2-yl]methanol
CID 127013581
(4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one
CID 130665628
2-(3-methylthiophen-2-yl)pyrrolidin-3-ol
CID 112709532
5-(3-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 16783898
(5R)-5-(3-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 98150794
8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 113294388
(3R)-3-(3-methylthiophen-2-yl)piperidine
CID 93478534
2-[(1R,2S)-2-cyclopropylcyclopropyl]-3-methylthiophene
CID 59774094

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde?
The IUPAC name of 6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde (CID 126983872) is 6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde.
What is the SMILES notation for 6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde?
The canonical SMILES for 6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde is Cc1ccsc1C1CCCC(C=O)O1.
What is the InChIKey of 6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde?
The InChIKey is KHRYHYVRRFBLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-8-5-6-14-11(8)10-4-2-3-9(7-12)13-10/h5-7,9-10H,2-4H2,1H3.
What are the key properties of 6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde?
6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde has a molecular weight of 210.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylthiophen-2-yl)oxane-2-carbaldehyde is sourced from PubChem (CID 126983872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).