[3-(9H-fluoren-3-yl)-2-methylpropyl] formate

C18H18O2 — CID 18001073

IUPAC[3-(9H-fluoren-3-yl)-2-methylpropyl] formate
SMILESCC(COC=O)Cc1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C18H18O2/c1-13(11-20-12-19)8-14-6-7-16-10-15-4-2-3-5-17(15)18(16)9-14/h2-7,9,12-13H,8,10-11H2,1H3
InChIKeyBULZQBNZUYPKQP-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.61
Rot. Bonds5

About [3-(9H-fluoren-3-yl)-2-methylpropyl] formate

[3-(9H-fluoren-3-yl)-2-methylpropyl] formate (PubChem CID 18001073) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [3-(9H-fluoren-3-yl)-2-methylpropyl] formate.

Molecular Properties

Compound Name[3-(9H-fluoren-3-yl)-2-methylpropyl] formate
PubChem CID18001073
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name[3-(9H-fluoren-3-yl)-2-methylpropyl] formate
SMILESCC(COC=O)Cc1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C18H18O2/c1-13(11-20-12-19)8-14-6-7-16-10-15-4-2-3-5-17(15)18(16)9-14/h2-7,9,12-13H,8,10-11H2,1H3
InChIKeyBULZQBNZUYPKQP-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.61
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 [3-(9H-fluoren-3-yl)-2-methylpropyl] formate?
The IUPAC name of [3-(9H-fluoren-3-yl)-2-methylpropyl] formate (CID 18001073) is [3-(9H-fluoren-3-yl)-2-methylpropyl] formate.
What is the SMILES notation for [3-(9H-fluoren-3-yl)-2-methylpropyl] formate?
The canonical SMILES for [3-(9H-fluoren-3-yl)-2-methylpropyl] formate is CC(COC=O)Cc1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of [3-(9H-fluoren-3-yl)-2-methylpropyl] formate?
The InChIKey is BULZQBNZUYPKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13(11-20-12-19)8-14-6-7-16-10-15-4-2-3-5-17(15)18(16)9-14/h2-7,9,12-13H,8,10-11H2,1H3.
What are the key properties of [3-(9H-fluoren-3-yl)-2-methylpropyl] formate?
[3-(9H-fluoren-3-yl)-2-methylpropyl] formate has a molecular weight of 266.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(9H-fluoren-3-yl)-2-methylpropyl] formate is sourced from PubChem (CID 18001073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).