7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one

C26H34O2 — CID 67497818

IUPAC7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one
SMILESCCCOCC1(C(=O)CCCCCC(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H34O2/c1-4-18-28-19-26(25(27)17-7-5-6-12-20(2)3)23-15-10-8-13-21(23)22-14-9-11-16-24(22)26/h8-11,13-16,20H,4-7,12,17-19H2,1-3H3
InChIKeyWBYVEDOSHNNVJE-UHFFFAOYSA-N
MW378.56 g/mol
LogP6.56
Rot. Bonds11

About 7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one

7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one (PubChem CID 67497818) has the molecular formula C26H34O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one.

Molecular Properties

Compound Name7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one
PubChem CID67497818
Molecular FormulaC26H34O2
Molecular Weight378.56 g/mol
Exact Mass378.26
IUPAC Name7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one
SMILESCCCOCC1(C(=O)CCCCCC(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H34O2/c1-4-18-28-19-26(25(27)17-7-5-6-12-20(2)3)23-15-10-8-13-21(23)22-14-9-11-16-24(22)26/h8-11,13-16,20H,4-7,12,17-19H2,1-3H3
InChIKeyWBYVEDOSHNNVJE-UHFFFAOYSA-N
XLogP6.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[9-(ethoxymethyl)fluoren-9-yl]nonan-1-one
CID 67498552
1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one
CID 67497909
7-methyloctyl 9-(methoxymethyl)fluorene-9-carboxylate
CID 90407620
13-methyltetradecyl 9-(methoxymethyl)fluorene-9-carboxylate
CID 90407730
1-(9-ethoxy-1-methylfluoren-9-yl)-7-methyloctan-1-one
CID 150898023
2-ethyltridecyl 9-(methoxymethyl)fluorene-9-carboxylate
CID 90408527
1-[1-(methoxymethyl)-2,6-dimethylcyclohexa-2,5-dien-1-yl]-7-methyloctan-1-one
CID 67498587
propyl 10-methylundecanoate
CID 138489997
1-O-butyl 2-O-(16-methylheptadecyl) benzene-1,2-dicarboxylate
CID 162107152
18-methyl-1-phenylnonadecan-1-one
CID 141198244
bis(6-methylheptyl) benzene-1,2-dicarboxylate;octyl octadecanoate;hydrate
CID 174922109
9H-fluoren-9-ylmethyl 7-methyloctanoate
CID 167509149

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one?
The IUPAC name of 7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one (CID 67497818) is 7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one.
What is the SMILES notation for 7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one?
The canonical SMILES for 7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one is CCCOCC1(C(=O)CCCCCC(C)C)c2ccccc2-c2ccccc21.
What is the InChIKey of 7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one?
The InChIKey is WBYVEDOSHNNVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O2/c1-4-18-28-19-26(25(27)17-7-5-6-12-20(2)3)23-15-10-8-13-21(23)22-14-9-11-16-24(22)26/h8-11,13-16,20H,4-7,12,17-19H2,1-3H3.
What are the key properties of 7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one?
7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one has a molecular weight of 378.56 g/mol, XLogP of 6.56, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[9-(propoxymethyl)fluoren-9-yl]octan-1-one is sourced from PubChem (CID 67497818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).