(2,6-dibutyl-9H-fluoren-9-yl)-methylcarbamic acid

C23H29NO2 — CID 123509210

IUPAC(2,6-dibutyl-9H-fluoren-9-yl)-methylcarbamic acid
SMILESCCCCc1ccc2c(c1)-c1ccc(CCCC)cc1C2N(C)C(=O)O
InChIInChI=1S/C23H29NO2/c1-4-6-8-16-11-13-19-20(14-16)18-12-10-17(9-7-5-2)15-21(18)22(19)24(3)23(25)26/h10-15,22H,4-9H2,1-3H3,(H,25,26)
InChIKeyCSZPIJVPHREDGF-UHFFFAOYSA-N
MW351.49 g/mol
LogP6.05
Rot. Bonds7

About (2,6-dibutyl-9H-fluoren-9-yl)-methylcarbamic acid

(2,6-dibutyl-9H-fluoren-9-yl)-methylcarbamic acid (PubChem CID 123509210) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (2,6-dibutyl-9H-fluoren-9-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(2,6-dibutyl-9H-fluoren-9-yl)-methylcarbamic acid
PubChem CID123509210
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(2,6-dibutyl-9H-fluoren-9-yl)-methylcarbamic acid
SMILESCCCCc1ccc2c(c1)-c1ccc(CCCC)cc1C2N(C)C(=O)O
InChIInChI=1S/C23H29NO2/c1-4-6-8-16-11-13-19-20(14-16)18-12-10-17(9-7-5-2)15-21(18)22(19)24(3)23(25)26/h10-15,22H,4-9H2,1-3H3,(H,25,26)
InChIKeyCSZPIJVPHREDGF-UHFFFAOYSA-N
XLogP6.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,6-dibutyl-9H-fluoren-9-yl)-methylcarbamic acid?
The IUPAC name of (2,6-dibutyl-9H-fluoren-9-yl)-methylcarbamic acid (CID 123509210) is (2,6-dibutyl-9H-fluoren-9-yl)-methylcarbamic acid.
What is the SMILES notation for (2,6-dibutyl-9H-fluoren-9-yl)-methylcarbamic acid?
The canonical SMILES for (2,6-dibutyl-9H-fluoren-9-yl)-methylcarbamic acid is CCCCc1ccc2c(c1)-c1ccc(CCCC)cc1C2N(C)C(=O)O.
What is the InChIKey of (2,6-dibutyl-9H-fluoren-9-yl)-methylcarbamic acid?
The InChIKey is CSZPIJVPHREDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-4-6-8-16-11-13-19-20(14-16)18-12-10-17(9-7-5-2)15-21(18)22(19)24(3)23(25)26/h10-15,22H,4-9H2,1-3H3,(H,25,26).
What are the key properties of (2,6-dibutyl-9H-fluoren-9-yl)-methylcarbamic acid?
(2,6-dibutyl-9H-fluoren-9-yl)-methylcarbamic acid has a molecular weight of 351.49 g/mol, XLogP of 6.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dibutyl-9H-fluoren-9-yl)-methylcarbamic acid is sourced from PubChem (CID 123509210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).