[1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate

C18H18O2 — CID 18001029

IUPAC[1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate
SMILESCC(C)(Cc1ccc2c(c1)Cc1ccccc1-2)OC=O
InChIInChI=1S/C18H18O2/c1-18(2,20-12-19)11-13-7-8-17-15(9-13)10-14-5-3-4-6-16(14)17/h3-9,12H,10-11H2,1-2H3
InChIKeyOUSVXECJSAUNLA-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.75
Rot. Bonds4

About [1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate

[1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate (PubChem CID 18001029) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate.

Molecular Properties

Compound Name[1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate
PubChem CID18001029
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name[1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate
SMILESCC(C)(Cc1ccc2c(c1)Cc1ccccc1-2)OC=O
InChIInChI=1S/C18H18O2/c1-18(2,20-12-19)11-13-7-8-17-15(9-13)10-14-5-3-4-6-16(14)17/h3-9,12H,10-11H2,1-2H3
InChIKeyOUSVXECJSAUNLA-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate?
The IUPAC name of [1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate (CID 18001029) is [1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate.
What is the SMILES notation for [1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate?
The canonical SMILES for [1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate is CC(C)(Cc1ccc2c(c1)Cc1ccccc1-2)OC=O.
What is the InChIKey of [1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate?
The InChIKey is OUSVXECJSAUNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-18(2,20-12-19)11-13-7-8-17-15(9-13)10-14-5-3-4-6-16(14)17/h3-9,12H,10-11H2,1-2H3.
What are the key properties of [1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate?
[1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate has a molecular weight of 266.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9H-fluoren-2-yl)-2-methylpropan-2-yl] formate is sourced from PubChem (CID 18001029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).