[1-(9H-fluoren-9-yl)-3-methylbutyl] formate

C19H20O2 — CID 91019013

IUPAC[1-(9H-fluoren-9-yl)-3-methylbutyl] formate
SMILESCC(C)CC(OC=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20O2/c1-13(2)11-18(21-12-20)19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10,12-13,18-19H,11H2,1-2H3
InChIKeyNNMKTFHDZGMCKD-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.39
Rot. Bonds5

About [1-(9H-fluoren-9-yl)-3-methylbutyl] formate

[1-(9H-fluoren-9-yl)-3-methylbutyl] formate (PubChem CID 91019013) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [1-(9H-fluoren-9-yl)-3-methylbutyl] formate.

Molecular Properties

Compound Name[1-(9H-fluoren-9-yl)-3-methylbutyl] formate
PubChem CID91019013
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name[1-(9H-fluoren-9-yl)-3-methylbutyl] formate
SMILESCC(C)CC(OC=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20O2/c1-13(2)11-18(21-12-20)19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10,12-13,18-19H,11H2,1-2H3
InChIKeyNNMKTFHDZGMCKD-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(9H-fluoren-9-yl)pentyl formate
CID 57002475
[(1R)-1-(9H-fluoren-9-yl)ethyl] formate
CID 174060552
[1-(9H-fluoren-9-yl)-2-oxopropyl] formate
CID 56631789
[2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate
CID 169031683
2-(9H-fluoren-9-yl)propan-1-ol
CID 147445819
[4-(9H-fluoren-9-yl)-2-phenyl-4-sulfanylbutyl] formate
CID 164783448
(2R)-2-[[[(1R)-1-(9H-fluoren-9-yl)ethoxy]carbonylamino]methyl]-4-methylpentanoic acid
CID 71654615
3-(2-methylpropyl)-2,3-dihydroinden-1-one
CID 63820625
ethyl 2-(9H-fluoren-9-yl)-3-methylbutanoate
CID 141437716
1-(9H-fluoren-9-ylmethoxy)ethanol
CID 143514998
9H-fluoren-9-ylmethyl 2-formyloxy-2-phenylacetate
CID 54093307
2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid
CID 102547292

Frequently Asked Questions

What is the IUPAC name of [1-(9H-fluoren-9-yl)-3-methylbutyl] formate?
The IUPAC name of [1-(9H-fluoren-9-yl)-3-methylbutyl] formate (CID 91019013) is [1-(9H-fluoren-9-yl)-3-methylbutyl] formate.
What is the SMILES notation for [1-(9H-fluoren-9-yl)-3-methylbutyl] formate?
The canonical SMILES for [1-(9H-fluoren-9-yl)-3-methylbutyl] formate is CC(C)CC(OC=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of [1-(9H-fluoren-9-yl)-3-methylbutyl] formate?
The InChIKey is NNMKTFHDZGMCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-13(2)11-18(21-12-20)19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10,12-13,18-19H,11H2,1-2H3.
What are the key properties of [1-(9H-fluoren-9-yl)-3-methylbutyl] formate?
[1-(9H-fluoren-9-yl)-3-methylbutyl] formate has a molecular weight of 280.37 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9H-fluoren-9-yl)-3-methylbutyl] formate is sourced from PubChem (CID 91019013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).