9H-fluoren-9-ylmethyl [3-heptoxy-2-(oxan-2-yloxy)propyl] carbonate

C30H40O6 — CID 59440790

IUPAC9H-fluoren-9-ylmethyl [3-heptoxy-2-(oxan-2-yloxy)propyl] carbonate
SMILESCCCCCCCOCC(COC(=O)OCC1c2ccccc2-c2ccccc21)OC1CCCCO1
InChIInChI=1S/C30H40O6/c1-2-3-4-5-11-18-32-20-23(36-29-17-10-12-19-33-29)21-34-30(31)35-22-28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28/h6-9,13-16,23,28-29H,2-5,10-12,17-22H2,1H3
InChIKeyZOVLEBGGYYRUOG-UHFFFAOYSA-N
MW496.64 g/mol
LogP6.85
Rot. Bonds14

About 9H-fluoren-9-ylmethyl [3-heptoxy-2-(oxan-2-yloxy)propyl] carbonate

9H-fluoren-9-ylmethyl [3-heptoxy-2-(oxan-2-yloxy)propyl] carbonate (PubChem CID 59440790) has the molecular formula C30H40O6 and a molecular weight of 496.64 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl [3-heptoxy-2-(oxan-2-yloxy)propyl] carbonate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl [3-heptoxy-2-(oxan-2-yloxy)propyl] carbonate
PubChem CID59440790
Molecular FormulaC30H40O6
Molecular Weight496.64 g/mol
Exact Mass496.28
IUPAC Name9H-fluoren-9-ylmethyl [3-heptoxy-2-(oxan-2-yloxy)propyl] carbonate
SMILESCCCCCCCOCC(COC(=O)OCC1c2ccccc2-c2ccccc21)OC1CCCCO1
InChIInChI=1S/C30H40O6/c1-2-3-4-5-11-18-32-20-23(36-29-17-10-12-19-33-29)21-34-30(31)35-22-28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28/h6-9,13-16,23,28-29H,2-5,10-12,17-22H2,1H3
InChIKeyZOVLEBGGYYRUOG-UHFFFAOYSA-N
XLogP6.85
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.64
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(9-Fluorenylmethyl)ethylcarbonate
CID 124429
[(3R,4R,5S,6S)-4,5-diacetoxy-6-(9H-fluoren-9-yloxy)tetrahydropyran-3-yl] acetate
CID 3011491
Acetic acid 4,6-diacetoxy-2-(9H-fluoren-9-yloxy)-5-isopropenyloxy-tetrahydro-pyran-3-yl ester
CID 3011492
[(3S,4S,5R,6R)-4,5-diacetoxy-6-(9H-fluoren-9-yloxy)tetrahydropyran-3-yl] acetate
CID 6479857
9H-luoren-9-ylmethyl methyl carbonate
CID 80158079
2-[2-(9h-Fluoren-9-yl)-ethoxy]-tetrahydropyran
CID 85809325
2-[[1-(2-methyloxiran-2-yl)-2,3-dihydro-1H-inden-2-yl]oxy]oxane
CID 281485
Methyl 2-methylspiro[1,3-dioxane-5,9'-fluorene]-2-carboxylate
CID 9948601
Butyl spiro[1,3-dioxane-5,9'-fluorene]-2-carboxylate
CID 9949735
2-Indanyl-4-methyl-1,3-dioxolane
CID 11321664
tert-butyl 9H-fluoren-9-ylmethyl carbonate
CID 15338374
9-Fluorenecarboxaldehyde diethyl acetal
CID 16218112

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl [3-heptoxy-2-(oxan-2-yloxy)propyl] carbonate?
The IUPAC name of 9H-fluoren-9-ylmethyl [3-heptoxy-2-(oxan-2-yloxy)propyl] carbonate (CID 59440790) is 9H-fluoren-9-ylmethyl [3-heptoxy-2-(oxan-2-yloxy)propyl] carbonate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl [3-heptoxy-2-(oxan-2-yloxy)propyl] carbonate?
The canonical SMILES for 9H-fluoren-9-ylmethyl [3-heptoxy-2-(oxan-2-yloxy)propyl] carbonate is CCCCCCCOCC(COC(=O)OCC1c2ccccc2-c2ccccc21)OC1CCCCO1.
What is the InChIKey of 9H-fluoren-9-ylmethyl [3-heptoxy-2-(oxan-2-yloxy)propyl] carbonate?
The InChIKey is ZOVLEBGGYYRUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40O6/c1-2-3-4-5-11-18-32-20-23(36-29-17-10-12-19-33-29)21-34-30(31)35-22-28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28/h6-9,13-16,23,28-29H,2-5,10-12,17-22H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl [3-heptoxy-2-(oxan-2-yloxy)propyl] carbonate?
9H-fluoren-9-ylmethyl [3-heptoxy-2-(oxan-2-yloxy)propyl] carbonate has a molecular weight of 496.64 g/mol, XLogP of 6.85, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl [3-heptoxy-2-(oxan-2-yloxy)propyl] carbonate is sourced from PubChem (CID 59440790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).