8-phenyloctyl carbamate

C15H23NO2 — CID 67180735

IUPAC8-phenyloctyl carbamate
SMILESNC(=O)OCCCCCCCCc1ccccc1
InChIInChI=1S/C15H23NO2/c16-15(17)18-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2,(H2,16,17)
InChIKeyGKTQCACRARIZGT-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.66
Rot. Bonds9

About 8-phenyloctyl carbamate

8-phenyloctyl carbamate (PubChem CID 67180735) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 8-phenyloctyl carbamate.

Molecular Properties

Compound Name8-phenyloctyl carbamate
PubChem CID67180735
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name8-phenyloctyl carbamate
SMILESNC(=O)OCCCCCCCCc1ccccc1
InChIInChI=1S/C15H23NO2/c16-15(17)18-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2,(H2,16,17)
InChIKeyGKTQCACRARIZGT-UHFFFAOYSA-N
XLogP3.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptyl 7-phenylheptyl carbonate
CID 67251382
ethyl 6-phenylhexyl carbonate
CID 67250774
bis(5-phenylpentyl) cyclohexane-1,2-dicarboxylate
CID 174219135
(2S)-2-amino-4-oxo-4-(5-phenylpentoxy)butanoic acid
CID 101180760
4-(5-phenylpentoxy)benzamide
CID 142267536
bis(3-phenylpropyl) decanedioate
CID 91710064
12-phenyldodecyl dihydrogen phosphate
CID 70388670
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
4-phenylbutyl butanoate
CID 59678642
5-phenylpentyl octanoate
CID 102283660
decyl 5-phenylpentanoate
CID 91723581
8-(8-phenyloctoxy)octylbenzene
CID 56628536

Frequently Asked Questions

What is the IUPAC name of 8-phenyloctyl carbamate?
The IUPAC name of 8-phenyloctyl carbamate (CID 67180735) is 8-phenyloctyl carbamate.
What is the SMILES notation for 8-phenyloctyl carbamate?
The canonical SMILES for 8-phenyloctyl carbamate is NC(=O)OCCCCCCCCc1ccccc1.
What is the InChIKey of 8-phenyloctyl carbamate?
The InChIKey is GKTQCACRARIZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c16-15(17)18-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2,(H2,16,17).
What are the key properties of 8-phenyloctyl carbamate?
8-phenyloctyl carbamate has a molecular weight of 249.35 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyloctyl carbamate is sourced from PubChem (CID 67180735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).