(4-aminophenyl) decyl carbonate

C17H27NO3 — CID 139745082

IUPAC(4-aminophenyl) decyl carbonate
SMILESCCCCCCCCCCOC(=O)Oc1ccc(N)cc1
InChIInChI=1S/C17H27NO3/c1-2-3-4-5-6-7-8-9-14-20-17(19)21-16-12-10-15(18)11-13-16/h10-13H,2-9,14,18H2,1H3
InChIKeyTWONCJJSZQZPBB-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.92
Rot. Bonds10

About (4-aminophenyl) decyl carbonate

(4-aminophenyl) decyl carbonate (PubChem CID 139745082) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (4-aminophenyl) decyl carbonate.

Molecular Properties

Compound Name(4-aminophenyl) decyl carbonate
PubChem CID139745082
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(4-aminophenyl) decyl carbonate
SMILESCCCCCCCCCCOC(=O)Oc1ccc(N)cc1
InChIInChI=1S/C17H27NO3/c1-2-3-4-5-6-7-8-9-14-20-17(19)21-16-12-10-15(18)11-13-16/h10-13H,2-9,14,18H2,1H3
InChIKeyTWONCJJSZQZPBB-UHFFFAOYSA-N
XLogP4.92
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

(4-decylphenyl) heptyl carbonate
CID 118690290
4-dodecoxycarbonyloxybenzoic acid
CID 54565697
4-nonoxycarbonyloxybenzoic acid;hydrochloride
CID 67933333
butyl (4-decylphenyl) carbonate
CID 118690266
decyl (4-nitrophenyl) carbonate
CID 139808256
(4-pentylphenyl) 5-phenylpentyl carbonate
CID 118690324
(4-hexoxyphenyl) 4-aminobenzoate
CID 54274650
(4-aminophenyl) hexadecanoate
CID 12781238
octyl [4-(4-octylsulfanylphenyl)phenyl] carbonate
CID 70386865
(4-nonylphenyl) 4-octoxycarbonyloxybenzoate
CID 14298165
tetradecyl 4-aminobenzoate
CID 66970570
(4-amino-2-ethoxyphenyl) dodecyl carbonate
CID 139745189

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) decyl carbonate?
The IUPAC name of (4-aminophenyl) decyl carbonate (CID 139745082) is (4-aminophenyl) decyl carbonate.
What is the SMILES notation for (4-aminophenyl) decyl carbonate?
The canonical SMILES for (4-aminophenyl) decyl carbonate is CCCCCCCCCCOC(=O)Oc1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl) decyl carbonate?
The InChIKey is TWONCJJSZQZPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-3-4-5-6-7-8-9-14-20-17(19)21-16-12-10-15(18)11-13-16/h10-13H,2-9,14,18H2,1H3.
What are the key properties of (4-aminophenyl) decyl carbonate?
(4-aminophenyl) decyl carbonate has a molecular weight of 293.41 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) decyl carbonate is sourced from PubChem (CID 139745082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).