5-(16-methylheptadecoxymethyl)furan-2-carbaldehyde

C24H42O3 — CID 87453536

IUPAC5-(16-methylheptadecoxymethyl)furan-2-carbaldehyde
SMILESCC(C)CCCCCCCCCCCCCCCOCc1ccc(C=O)o1
InChIInChI=1S/C24H42O3/c1-22(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-19-26-21-24-18-17-23(20-25)27-24/h17-18,20,22H,3-16,19,21H2,1-2H3
InChIKeyPRTUQPCUJCKLOM-UHFFFAOYSA-N
MW378.60 g/mol
LogP7.73
Rot. Bonds19

About 5-(16-methylheptadecoxymethyl)furan-2-carbaldehyde

5-(16-methylheptadecoxymethyl)furan-2-carbaldehyde (PubChem CID 87453536) has the molecular formula C24H42O3 and a molecular weight of 378.60 g/mol. Its IUPAC name is 5-(16-methylheptadecoxymethyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(16-methylheptadecoxymethyl)furan-2-carbaldehyde
PubChem CID87453536
Molecular FormulaC24H42O3
Molecular Weight378.60 g/mol
Exact Mass378.31
IUPAC Name5-(16-methylheptadecoxymethyl)furan-2-carbaldehyde
SMILESCC(C)CCCCCCCCCCCCCCCOCc1ccc(C=O)o1
InChIInChI=1S/C24H42O3/c1-22(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-19-26-21-24-18-17-23(20-25)27-24/h17-18,20,22H,3-16,19,21H2,1-2H3
InChIKeyPRTUQPCUJCKLOM-UHFFFAOYSA-N
XLogP7.73
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(hexadec-9-enoxymethyl)furan-2-carbaldehyde
CID 123565509
5-(octadeca-9,12,15-trienoxymethyl)furan-2-carbaldehyde
CID 90788991
5-(3-methylbutyl)furan-2-carbaldehyde
CID 82374143
5-(4-methylpentoxy)furan-2-carbaldehyde
CID 79117165
2-(decoxymethyl)-5-ethenylfuran
CID 158934366
5-(phenylmethoxymethyl)furan-2-carbaldehyde
CID 4739192
5-(oxetan-3-yloxymethyl)furan-2-carbaldehyde
CID 102607069
N-[[5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444595
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
2-[[5-(decoxymethyl)furan-2-yl]methylideneamino]acetic acid
CID 140702571
2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62449718
5-(3-methylbutoxymethyl)furan-2-carboxylic acid
CID 4739201

Frequently Asked Questions

What is the IUPAC name of 5-(16-methylheptadecoxymethyl)furan-2-carbaldehyde?
The IUPAC name of 5-(16-methylheptadecoxymethyl)furan-2-carbaldehyde (CID 87453536) is 5-(16-methylheptadecoxymethyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(16-methylheptadecoxymethyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(16-methylheptadecoxymethyl)furan-2-carbaldehyde is CC(C)CCCCCCCCCCCCCCCOCc1ccc(C=O)o1.
What is the InChIKey of 5-(16-methylheptadecoxymethyl)furan-2-carbaldehyde?
The InChIKey is PRTUQPCUJCKLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O3/c1-22(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-19-26-21-24-18-17-23(20-25)27-24/h17-18,20,22H,3-16,19,21H2,1-2H3.
What are the key properties of 5-(16-methylheptadecoxymethyl)furan-2-carbaldehyde?
5-(16-methylheptadecoxymethyl)furan-2-carbaldehyde has a molecular weight of 378.60 g/mol, XLogP of 7.73, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(16-methylheptadecoxymethyl)furan-2-carbaldehyde is sourced from PubChem (CID 87453536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).