5-(6-methylheptyl)thiophene-2-carbaldehyde

C13H20OS — CID 174915390

IUPAC5-(6-methylheptyl)thiophene-2-carbaldehyde
SMILESCC(C)CCCCCc1ccc(C=O)s1
InChIInChI=1S/C13H20OS/c1-11(2)6-4-3-5-7-12-8-9-13(10-14)15-12/h8-11H,3-7H2,1-2H3
InChIKeyNVVJFAHMNYKWOO-UHFFFAOYSA-N
MW224.37 g/mol
LogP4.32
Rot. Bonds7

About 5-(6-methylheptyl)thiophene-2-carbaldehyde

5-(6-methylheptyl)thiophene-2-carbaldehyde (PubChem CID 174915390) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 5-(6-methylheptyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(6-methylheptyl)thiophene-2-carbaldehyde
PubChem CID174915390
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name5-(6-methylheptyl)thiophene-2-carbaldehyde
SMILESCC(C)CCCCCc1ccc(C=O)s1
InChIInChI=1S/C13H20OS/c1-11(2)6-4-3-5-7-12-8-9-13(10-14)15-12/h8-11H,3-7H2,1-2H3
InChIKeyNVVJFAHMNYKWOO-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(5-fluoropentyl)thiophene-2-carbaldehyde
CID 118228976
4-(7-methyloctyl)benzaldehyde
CID 173431651
3-(5-formylthiophen-2-yl)propanoic acid
CID 15115397
ethane;5-ethylthiophene-2-carbaldehyde;methanamine
CID 143347263
2-[(Z)-4-methylpent-1-enyl]-5-[7-(5-propan-2-ylthiophen-2-yl)heptan-2-yl]thiophene
CID 155027449
2-ethenyl-5-hexylthiophene
CID 102047565
2,5-bis[(1E,3E)-4-(5-hexylthiophen-2-yl)buta-1,3-dienyl]thiophene
CID 11049619
7-[5-(3-hydroxyoct-1-enyl)thiophen-2-yl]heptanoic acid
CID 54320936
(E)-3-(5-heptylthiophen-2-yl)prop-2-enoic acid
CID 15919237
5-[(2-hexylanilino)methyl]thiophene-2-carbaldehyde
CID 145485644
(3Z,6Z)-3,6-bis[(5-hexylthiophen-2-yl)methylidene]piperazine-2,5-dione
CID 118156869
5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde
CID 88680246

Frequently Asked Questions

What is the IUPAC name of 5-(6-methylheptyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(6-methylheptyl)thiophene-2-carbaldehyde (CID 174915390) is 5-(6-methylheptyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(6-methylheptyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(6-methylheptyl)thiophene-2-carbaldehyde is CC(C)CCCCCc1ccc(C=O)s1.
What is the InChIKey of 5-(6-methylheptyl)thiophene-2-carbaldehyde?
The InChIKey is NVVJFAHMNYKWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-11(2)6-4-3-5-7-12-8-9-13(10-14)15-12/h8-11H,3-7H2,1-2H3.
What are the key properties of 5-(6-methylheptyl)thiophene-2-carbaldehyde?
5-(6-methylheptyl)thiophene-2-carbaldehyde has a molecular weight of 224.37 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylheptyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 174915390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).