4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate

C34H28O6 — CID 6612799

IUPAC4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
SMILESO=C(OCC=CCOC(=O)OCC1c2ccccc2-c2ccccc21)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C34H28O6/c35-33(39-21-31-27-15-5-1-11-23(27)24-12-2-6-16-28(24)31)37-19-9-10-20-38-34(36)40-22-32-29-17-7-3-13-25(29)26-14-4-8-18-30(26)32/h1-18,31-32H,19-22H2
InChIKeyYDWCEQFMNWVFAM-UHFFFAOYSA-N
MW532.59 g/mol
LogP7.47
Rot. Bonds8

About 4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate

4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate (PubChem CID 6612799) has the molecular formula C34H28O6 and a molecular weight of 532.59 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
PubChem CID6612799
Molecular FormulaC34H28O6
Molecular Weight532.59 g/mol
Exact Mass532.19
IUPAC Name4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
SMILESO=C(OCC=CCOC(=O)OCC1c2ccccc2-c2ccccc21)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C34H28O6/c35-33(39-21-31-27-15-5-1-11-23(27)24-12-2-6-16-28(24)31)37-19-9-10-20-38-34(36)40-22-32-29-17-7-3-13-25(29)26-14-4-8-18-30(26)32/h1-18,31-32H,19-22H2
InChIKeyYDWCEQFMNWVFAM-UHFFFAOYSA-N
XLogP7.47
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.59
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl 2-hydroxyethyl carbonate
CID 174872937
butyl 9H-fluoren-9-ylmethyl carbonate
CID 114289496
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate
CID 126627659
9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate
CID 173166332
(2S)-2-(aminomethyl)-3-(9H-fluoren-9-ylmethoxy)-2-hydroxy-3-oxopropanoic acid
CID 178186306
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate?
The IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate (CID 6612799) is 4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate.
What is the SMILES notation for 4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate?
The canonical SMILES for 4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate is O=C(OCC=CCOC(=O)OCC1c2ccccc2-c2ccccc21)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate?
The InChIKey is YDWCEQFMNWVFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28O6/c35-33(39-21-31-27-15-5-1-11-23(27)24-12-2-6-16-28(24)31)37-19-9-10-20-38-34(36)40-22-32-29-17-7-3-13-25(29)26-14-4-8-18-30(26)32/h1-18,31-32H,19-22H2.
What are the key properties of 4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate?
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate has a molecular weight of 532.59 g/mol, XLogP of 7.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate is sourced from PubChem (CID 6612799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).