[9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate

C34H30O6 — CID 118345017

IUPAC[9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate
SMILESCOC(=O)OCC1(CCC2(COC(=O)OC)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C34H30O6/c1-37-31(35)39-21-33(27-15-7-3-11-23(27)24-12-4-8-16-28(24)33)19-20-34(22-40-32(36)38-2)29-17-9-5-13-25(29)26-14-6-10-18-30(26)34/h3-18H,19-22H2,1-2H3
InChIKeyKHJMBBIBGBDUPU-UHFFFAOYSA-N
MW534.61 g/mol
LogP7.27
Rot. Bonds7

About [9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate

[9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate (PubChem CID 118345017) has the molecular formula C34H30O6 and a molecular weight of 534.61 g/mol. Its IUPAC name is [9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate.

Molecular Properties

Compound Name[9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate
PubChem CID118345017
Molecular FormulaC34H30O6
Molecular Weight534.61 g/mol
Exact Mass534.20
IUPAC Name[9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate
SMILESCOC(=O)OCC1(CCC2(COC(=O)OC)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C34H30O6/c1-37-31(35)39-21-33(27-15-7-3-11-23(27)24-12-4-8-16-28(24)33)19-20-34(22-40-32(36)38-2)29-17-9-5-13-25(29)26-14-6-10-18-30(26)34/h3-18H,19-22H2,1-2H3
InChIKeyKHJMBBIBGBDUPU-UHFFFAOYSA-N
XLogP7.27
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.61
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate with MolForge

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Related Compounds

methyl 3-[9-[2-[9-(3-methoxy-2-methyl-3-oxopropyl)fluoren-9-yl]ethyl]fluoren-9-yl]-2-methylpropanoate
CID 90136290
[9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate
CID 126613610
[9-(diethylcarbamoyloxymethyl)fluoren-9-yl]methyl N,N-diethylcarbamate
CID 118272526
3-[9-(3-amino-3-oxopropyl)fluoren-9-yl]propanamide
CID 156840120
9,9-bis(2-methoxyethoxymethyl)fluorene
CID 22561477
propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate
CID 141442965
methyl 3-(9-octylfluoren-9-yl)propanoate
CID 58637208
methyl 9-(ethoxymethyl)fluorene-9-carboxylate
CID 90407926
methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 132933261
[9-(3-phenylprop-2-enoyloxymethyl)fluoren-9-yl]methyl 3-phenylprop-2-enoate
CID 66896982
ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
CID 144608460
[1-(methoxymethyl)-2,3-dimethylinden-1-yl]methyl propanoate
CID 141047896

Frequently Asked Questions

What is the IUPAC name of [9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate?
The IUPAC name of [9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate (CID 118345017) is [9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate.
What is the SMILES notation for [9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate?
The canonical SMILES for [9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate is COC(=O)OCC1(CCC2(COC(=O)OC)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of [9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate?
The InChIKey is KHJMBBIBGBDUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O6/c1-37-31(35)39-21-33(27-15-7-3-11-23(27)24-12-4-8-16-28(24)33)19-20-34(22-40-32(36)38-2)29-17-9-5-13-25(29)26-14-6-10-18-30(26)34/h3-18H,19-22H2,1-2H3.
What are the key properties of [9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate?
[9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate has a molecular weight of 534.61 g/mol, XLogP of 7.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate is sourced from PubChem (CID 118345017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).