butyl 9H-fluoren-9-ylmethyl carbonate

C19H20O3 — CID 114289496

IUPACbutyl 9H-fluoren-9-ylmethyl carbonate
SMILESCCCCOC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20O3/c1-2-3-12-21-19(20)22-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18H,2-3,12-13H2,1H3
InChIKeySHEBTCMDGJBWGE-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.75
Rot. Bonds5

About butyl 9H-fluoren-9-ylmethyl carbonate

butyl 9H-fluoren-9-ylmethyl carbonate (PubChem CID 114289496) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is butyl 9H-fluoren-9-ylmethyl carbonate.

Molecular Properties

Compound Namebutyl 9H-fluoren-9-ylmethyl carbonate
PubChem CID114289496
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Namebutyl 9H-fluoren-9-ylmethyl carbonate
SMILESCCCCOC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20O3/c1-2-3-12-21-19(20)22-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18H,2-3,12-13H2,1H3
InChIKeySHEBTCMDGJBWGE-UHFFFAOYSA-N
XLogP4.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl 2-hydroxyethyl carbonate
CID 174872937
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799
2-(butoxycarbonylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 87697648
9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate
CID 173166332
2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid
CID 163288654
(2S)-3-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 18397404
octyl (2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
CID 172553228
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 57359373
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
(4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate
CID 89246029
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
9H-fluoren-9-yl propyl carbonate
CID 175604366

Frequently Asked Questions

What is the IUPAC name of butyl 9H-fluoren-9-ylmethyl carbonate?
The IUPAC name of butyl 9H-fluoren-9-ylmethyl carbonate (CID 114289496) is butyl 9H-fluoren-9-ylmethyl carbonate.
What is the SMILES notation for butyl 9H-fluoren-9-ylmethyl carbonate?
The canonical SMILES for butyl 9H-fluoren-9-ylmethyl carbonate is CCCCOC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of butyl 9H-fluoren-9-ylmethyl carbonate?
The InChIKey is SHEBTCMDGJBWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-2-3-12-21-19(20)22-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18H,2-3,12-13H2,1H3.
What are the key properties of butyl 9H-fluoren-9-ylmethyl carbonate?
butyl 9H-fluoren-9-ylmethyl carbonate has a molecular weight of 296.37 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 9H-fluoren-9-ylmethyl carbonate is sourced from PubChem (CID 114289496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).