9H-fluoren-9-ylmethyl 7-methyloctanoate

C23H28O2 — CID 167509149

IUPAC9H-fluoren-9-ylmethyl 7-methyloctanoate
SMILESCC(C)CCCCCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H28O2/c1-17(2)10-4-3-5-15-23(24)25-16-22-20-13-8-6-11-18(20)19-12-7-9-14-21(19)22/h6-9,11-14,17,22H,3-5,10,15-16H2,1-2H3
InChIKeyPDYHZCLTMOAHQN-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.95
Rot. Bonds8

About 9H-fluoren-9-ylmethyl 7-methyloctanoate

9H-fluoren-9-ylmethyl 7-methyloctanoate (PubChem CID 167509149) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 7-methyloctanoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 7-methyloctanoate
PubChem CID167509149
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name9H-fluoren-9-ylmethyl 7-methyloctanoate
SMILESCC(C)CCCCCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H28O2/c1-17(2)10-4-3-5-15-23(24)25-16-22-20-13-8-6-11-18(20)19-12-7-9-14-21(19)22/h6-9,11-14,17,22H,3-5,10,15-16H2,1-2H3
InChIKeyPDYHZCLTMOAHQN-UHFFFAOYSA-N
XLogP5.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl 7-methyloctanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-O-amino 1-O-(9H-fluoren-9-ylmethyl) heptanedioate
CID 175239648
22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid
CID 149410071
bis(9H-fluoren-9-ylmethyl) 4,4-dimethyldecanedioate
CID 71142808
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-methylpentanoic acid
CID 58273355
(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 96559700
9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate
CID 58238692
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663
9H-fluoren-9-ylmethyl (6S)-6-amino-6-[5-(2-amino-2-oxoethyl)-1,3,4-oxadiazol-2-yl]hexanoate
CID 158641850
CID 23573686
CID 23573686
2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate
CID 159835092

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 7-methyloctanoate?
The IUPAC name of 9H-fluoren-9-ylmethyl 7-methyloctanoate (CID 167509149) is 9H-fluoren-9-ylmethyl 7-methyloctanoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 7-methyloctanoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 7-methyloctanoate is CC(C)CCCCCC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 7-methyloctanoate?
The InChIKey is PDYHZCLTMOAHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-17(2)10-4-3-5-15-23(24)25-16-22-20-13-8-6-11-18(20)19-12-7-9-14-21(19)22/h6-9,11-14,17,22H,3-5,10,15-16H2,1-2H3.
What are the key properties of 9H-fluoren-9-ylmethyl 7-methyloctanoate?
9H-fluoren-9-ylmethyl 7-methyloctanoate has a molecular weight of 336.48 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 7-methyloctanoate is sourced from PubChem (CID 167509149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).