[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate

C24H27NO4 — CID 135186585

IUPAC[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate
SMILESO=COC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCCCC1
InChIInChI=1S/C24H27NO4/c26-17-29-24(14-8-2-1-3-9-15-24)25-23(27)28-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,17,22H,1-3,8-9,14-16H2,(H,25,27)
InChIKeyKXIJYBMTNCGSLV-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.14
Rot. Bonds5

About [1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate

[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate (PubChem CID 135186585) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is [1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate.

Molecular Properties

Compound Name[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate
PubChem CID135186585
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate
SMILESO=COC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCCCC1
InChIInChI=1S/C24H27NO4/c26-17-29-24(14-8-2-1-3-9-15-24)25-23(27)28-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,17,22H,1-3,8-9,14-16H2,(H,25,27)
InChIKeyKXIJYBMTNCGSLV-UHFFFAOYSA-N
XLogP5.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 21303770
[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2,4,9-tetrahydrocarbazol-3-yl] formate
CID 90925574
9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate
CID 118380482
trans-(1R,2S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylic acid
CID 23397419
tert-butyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohenicosane-1-carboxylate
CID 11399449
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
CID 1268237
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate
CID 129451733
9H-fluoren-9-ylmethyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate
CID 87708365
9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
CID 71433298
9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate
CID 130649597
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
cis-prop-2-enyl (1R,2R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylate;methane
CID 159560192

Frequently Asked Questions

What is the IUPAC name of [1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate?
The IUPAC name of [1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate (CID 135186585) is [1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate.
What is the SMILES notation for [1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate?
The canonical SMILES for [1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate is O=COC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCCCC1.
What is the InChIKey of [1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate?
The InChIKey is KXIJYBMTNCGSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c26-17-29-24(14-8-2-1-3-9-15-24)25-23(27)28-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,17,22H,1-3,8-9,14-16H2,(H,25,27).
What are the key properties of [1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate?
[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate has a molecular weight of 393.48 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate is sourced from PubChem (CID 135186585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).