tert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate

C26H35NO3 — CID 56659253

IUPACtert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate
SMILESCCCCCCCCn1c2ccccc2c2ccc(OCC(=O)OC(C)(C)C)cc21
InChIInChI=1S/C26H35NO3/c1-5-6-7-8-9-12-17-27-23-14-11-10-13-21(23)22-16-15-20(18-24(22)27)29-19-25(28)30-26(2,3)4/h10-11,13-16,18H,5-9,12,17,19H2,1-4H3
InChIKeyMIHHRPFVINHQPN-UHFFFAOYSA-N
MW409.57 g/mol
LogP6.88
Rot. Bonds10

About tert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate

tert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate (PubChem CID 56659253) has the molecular formula C26H35NO3 and a molecular weight of 409.57 g/mol. Its IUPAC name is tert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate
PubChem CID56659253
Molecular FormulaC26H35NO3
Molecular Weight409.57 g/mol
Exact Mass409.26
IUPAC Nametert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate
SMILESCCCCCCCCn1c2ccccc2c2ccc(OCC(=O)OC(C)(C)C)cc21
InChIInChI=1S/C26H35NO3/c1-5-6-7-8-9-12-17-27-23-14-11-10-13-21(23)22-16-15-20(18-24(22)27)29-19-25(28)30-26(2,3)4/h10-11,13-16,18H,5-9,12,17,19H2,1-4H3
InChIKeyMIHHRPFVINHQPN-UHFFFAOYSA-N
XLogP6.88
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-dodecoxy-9-dodecylcarbazole
CID 15163810
9-octadecyl-2-octoxycarbazole
CID 15163807
2-octoxy-9-octylcarbazole
CID 15163804
bis(9-hexylcarbazol-2-yl) benzene-1,4-dicarboxylate
CID 175601220
N,N-dimethyl-2-(9-octylcarbazol-2-yl)oxyethanamine
CID 56676367
9-octyl-2-(2H-tetrazol-5-ylmethoxy)carbazole
CID 56673053
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
benzene;9-octylcarbazole
CID 175067369
9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
methyl 2-(3-formyl-9-octylcarbazol-2-yl)oxyacetate
CID 56662734
4-(9-octylcarbazol-3-yl)oxycarbonylbenzoic acid
CID 175213708

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate?
The IUPAC name of tert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate (CID 56659253) is tert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate.
What is the SMILES notation for tert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate?
The canonical SMILES for tert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate is CCCCCCCCn1c2ccccc2c2ccc(OCC(=O)OC(C)(C)C)cc21.
What is the InChIKey of tert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate?
The InChIKey is MIHHRPFVINHQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO3/c1-5-6-7-8-9-12-17-27-23-14-11-10-13-21(23)22-16-15-20(18-24(22)27)29-19-25(28)30-26(2,3)4/h10-11,13-16,18H,5-9,12,17,19H2,1-4H3.
What are the key properties of tert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate?
tert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate has a molecular weight of 409.57 g/mol, XLogP of 6.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(9-octylcarbazol-2-yl)oxyacetate is sourced from PubChem (CID 56659253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).