4-cyclohexyl-5-methyl-2-propan-2-ylthiophene-3-carbaldehyde

C15H22OS — CID 134893689

IUPAC4-cyclohexyl-5-methyl-2-propan-2-ylthiophene-3-carbaldehyde
SMILESCc1sc(C(C)C)c(C=O)c1C1CCCCC1
InChIInChI=1S/C15H22OS/c1-10(2)15-13(9-16)14(11(3)17-15)12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3
InChIKeyRVCKAVHTEILLMB-UHFFFAOYSA-N
MW250.41 g/mol
LogP5.04
Rot. Bonds3

About 4-cyclohexyl-5-methyl-2-propan-2-ylthiophene-3-carbaldehyde

4-cyclohexyl-5-methyl-2-propan-2-ylthiophene-3-carbaldehyde (PubChem CID 134893689) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 4-cyclohexyl-5-methyl-2-propan-2-ylthiophene-3-carbaldehyde.

Molecular Properties

Compound Name4-cyclohexyl-5-methyl-2-propan-2-ylthiophene-3-carbaldehyde
PubChem CID134893689
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name4-cyclohexyl-5-methyl-2-propan-2-ylthiophene-3-carbaldehyde
SMILESCc1sc(C(C)C)c(C=O)c1C1CCCCC1
InChIInChI=1S/C15H22OS/c1-10(2)15-13(9-16)14(11(3)17-15)12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3
InChIKeyRVCKAVHTEILLMB-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.41
LogP ≤ 55.04
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 4-cyclohexyl-5-methyl-2-propan-2-ylthiophene-3-carbaldehyde?
The IUPAC name of 4-cyclohexyl-5-methyl-2-propan-2-ylthiophene-3-carbaldehyde (CID 134893689) is 4-cyclohexyl-5-methyl-2-propan-2-ylthiophene-3-carbaldehyde.
What is the SMILES notation for 4-cyclohexyl-5-methyl-2-propan-2-ylthiophene-3-carbaldehyde?
The canonical SMILES for 4-cyclohexyl-5-methyl-2-propan-2-ylthiophene-3-carbaldehyde is Cc1sc(C(C)C)c(C=O)c1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-5-methyl-2-propan-2-ylthiophene-3-carbaldehyde?
The InChIKey is RVCKAVHTEILLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-10(2)15-13(9-16)14(11(3)17-15)12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 4-cyclohexyl-5-methyl-2-propan-2-ylthiophene-3-carbaldehyde?
4-cyclohexyl-5-methyl-2-propan-2-ylthiophene-3-carbaldehyde has a molecular weight of 250.41 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-methyl-2-propan-2-ylthiophene-3-carbaldehyde is sourced from PubChem (CID 134893689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).