3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal

C37H50O2 — CID 76625905

IUPAC3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal
SMILESCC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C1C=CC(C)(CCC=O)O1
InChIInChI=1S/C37H50O2/c1-30(2)16-11-19-33(5)21-13-23-34(6)22-12-20-31(3)17-9-10-18-32(4)24-14-25-35(7)36-26-28-37(8,39-36)27-15-29-38/h9-10,12-14,16-18,20-26,28-29,36H,11,15,19,27H2,1-8H3
InChIKeyMZFFOBPWIAYVHE-UHFFFAOYSA-N
MW526.81 g/mol
LogP10.38
Rot. Bonds15

About 3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal

3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal (PubChem CID 76625905) has the molecular formula C37H50O2 and a molecular weight of 526.81 g/mol. Its IUPAC name is 3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal.

Molecular Properties

Compound Name3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal
PubChem CID76625905
Molecular FormulaC37H50O2
Molecular Weight526.81 g/mol
Exact Mass526.38
IUPAC Name3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal
SMILESCC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C1C=CC(C)(CCC=O)O1
InChIInChI=1S/C37H50O2/c1-30(2)16-11-19-33(5)21-13-23-34(6)22-12-20-31(3)17-9-10-18-32(4)24-14-25-35(7)36-26-28-37(8,39-36)27-15-29-38/h9-10,12-14,16-18,20-26,28-29,36H,11,15,19,27H2,1-8H3
InChIKeyMZFFOBPWIAYVHE-UHFFFAOYSA-N
XLogP10.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.81
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal with MolForge

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Related Compounds

3-[5-methyl-2-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl]-2H-furan-5-yl]propanal
CID 57614678
(6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19-pentamethyl-23-[5-methyl-5-(4-methylpent-3-enyl)-2H-furan-2-yl]tetracosa-2,6,8,10,12,14,16,18,20,22-decaen-4-one
CID 57614690
2,6,10,14,19-pentamethyl-23-[5-methyl-5-(4-methylpent-3-enyl)-2H-furan-2-yl]tetracosa-2,6,8,10,12,14,16,18,20,22-decaen-4-one
CID 76625912
(5E,7E,10Z,13Z,16Z,19Z)-4-methoxy-2,2-dimethyldocosa-5,7,10,13,16,19-hexaenal
CID 140013572
3-[5-methyl-2-[(2E,4E,6E,8E,10E,12E,14E,18E)-5,7,10,12-tetradeuterio-15,19,23-trimethyl-6,11-bis(trideuteriomethyl)tetracosa-2,4,6,8,10,12,14,18,22-nonaen-2-yl]-2H-furan-5-yl]propanal
CID 177464143

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal?
The IUPAC name of 3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal (CID 76625905) is 3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal.
What is the SMILES notation for 3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal?
The canonical SMILES for 3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal is CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C1C=CC(C)(CCC=O)O1.
What is the InChIKey of 3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal?
The InChIKey is MZFFOBPWIAYVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H50O2/c1-30(2)16-11-19-33(5)21-13-23-34(6)22-12-20-31(3)17-9-10-18-32(4)24-14-25-35(7)36-26-28-37(8,39-36)27-15-29-38/h9-10,12-14,16-18,20-26,28-29,36H,11,15,19,27H2,1-8H3.
What are the key properties of 3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal?
3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal has a molecular weight of 526.81 g/mol, XLogP of 10.38, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-(6,11,15,19,23-pentamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-2-yl)-2H-furan-5-yl]propanal is sourced from PubChem (CID 76625905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).