5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde

C14H16OS — CID 24859966

IUPAC5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1C(c2cccs2)=CC=C(C=O)C1(C)C
InChIInChI=1S/C14H16OS/c1-10-12(13-5-4-8-16-13)7-6-11(9-15)14(10,2)3/h4-10H,1-3H3
InChIKeyVHUIQLYCEORYRB-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.93
Rot. Bonds2

About 5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde

5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24859966) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24859966
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1C(c2cccs2)=CC=C(C=O)C1(C)C
InChIInChI=1S/C14H16OS/c1-10-12(13-5-4-8-16-13)7-6-11(9-15)14(10,2)3/h4-10H,1-3H3
InChIKeyVHUIQLYCEORYRB-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde (CID 24859966) is 5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde is CC1C(c2cccs2)=CC=C(C=O)C1(C)C.
What is the InChIKey of 5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is VHUIQLYCEORYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-10-12(13-5-4-8-16-13)7-6-11(9-15)14(10,2)3/h4-10H,1-3H3.
What are the key properties of 5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 232.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6-trimethyl-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24859966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).