2-[9-(methoxymethyl)fluoren-9-yl]heptanal

C22H26O2 — CID 174662792

IUPAC2-[9-(methoxymethyl)fluoren-9-yl]heptanal
SMILESCCCCCC(C=O)C1(COC)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H26O2/c1-3-4-5-10-17(15-23)22(16-24-2)20-13-8-6-11-18(20)19-12-7-9-14-21(19)22/h6-9,11-15,17H,3-5,10,16H2,1-2H3
InChIKeyQETYOKZEMARUHJ-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.99
Rot. Bonds8

About 2-[9-(methoxymethyl)fluoren-9-yl]heptanal

2-[9-(methoxymethyl)fluoren-9-yl]heptanal (PubChem CID 174662792) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[9-(methoxymethyl)fluoren-9-yl]heptanal.

Molecular Properties

Compound Name2-[9-(methoxymethyl)fluoren-9-yl]heptanal
PubChem CID174662792
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name2-[9-(methoxymethyl)fluoren-9-yl]heptanal
SMILESCCCCCC(C=O)C1(COC)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H26O2/c1-3-4-5-10-17(15-23)22(16-24-2)20-13-8-6-11-18(20)19-12-7-9-14-21(19)22/h6-9,11-15,17H,3-5,10,16H2,1-2H3
InChIKeyQETYOKZEMARUHJ-UHFFFAOYSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.99
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

2-ethyltridecyl 9-(methoxymethyl)fluorene-9-carboxylate
CID 90408527
9-prop-2-enyl-9-tridecan-2-ylfluorene
CID 91582578
9-(methoxymethyl)-9-(pentoxymethyl)fluorene
CID 22140520
1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one
CID 67497909
2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde
CID 174853757
ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one
CID 145141173
9,9-dioctylfluorene;ethane;fluoren-9-one;methane
CID 158051918
2-(1-phenylethyl)heptanal
CID 101475787
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
2-phenoxyundecanal
CID 57130450
7-methyloctyl 9-(methoxymethyl)fluorene-9-carboxylate
CID 90407620

Frequently Asked Questions

What is the IUPAC name of 2-[9-(methoxymethyl)fluoren-9-yl]heptanal?
The IUPAC name of 2-[9-(methoxymethyl)fluoren-9-yl]heptanal (CID 174662792) is 2-[9-(methoxymethyl)fluoren-9-yl]heptanal.
What is the SMILES notation for 2-[9-(methoxymethyl)fluoren-9-yl]heptanal?
The canonical SMILES for 2-[9-(methoxymethyl)fluoren-9-yl]heptanal is CCCCCC(C=O)C1(COC)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[9-(methoxymethyl)fluoren-9-yl]heptanal?
The InChIKey is QETYOKZEMARUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-3-4-5-10-17(15-23)22(16-24-2)20-13-8-6-11-18(20)19-12-7-9-14-21(19)22/h6-9,11-15,17H,3-5,10,16H2,1-2H3.
What are the key properties of 2-[9-(methoxymethyl)fluoren-9-yl]heptanal?
2-[9-(methoxymethyl)fluoren-9-yl]heptanal has a molecular weight of 322.45 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(methoxymethyl)fluoren-9-yl]heptanal is sourced from PubChem (CID 174662792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).