hexyl (2-propylphenyl) carbonate

C16H24O3 — CID 67179757

IUPAChexyl (2-propylphenyl) carbonate
SMILESCCCCCCOC(=O)Oc1ccccc1CCC
InChIInChI=1S/C16H24O3/c1-3-5-6-9-13-18-16(17)19-15-12-8-7-11-14(15)10-4-2/h7-8,11-12H,3-6,9-10,13H2,1-2H3
InChIKeyAYJGNGLXDIYYKO-UHFFFAOYSA-N
MW264.36 g/mol
LogP4.73
Rot. Bonds8

About hexyl (2-propylphenyl) carbonate

hexyl (2-propylphenyl) carbonate (PubChem CID 67179757) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is hexyl (2-propylphenyl) carbonate.

Molecular Properties

Compound Namehexyl (2-propylphenyl) carbonate
PubChem CID67179757
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Namehexyl (2-propylphenyl) carbonate
SMILESCCCCCCOC(=O)Oc1ccccc1CCC
InChIInChI=1S/C16H24O3/c1-3-5-6-9-13-18-16(17)19-15-12-8-7-11-14(15)10-4-2/h7-8,11-12H,3-6,9-10,13H2,1-2H3
InChIKeyAYJGNGLXDIYYKO-UHFFFAOYSA-N
XLogP4.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octyl (2-pentylphenyl) carbonate
CID 67181173
(2-butylphenyl) hexyl carbonate
CID 67178148
butyl (2-decylphenyl) carbonate
CID 67182932
[2-[(2-octoxycarbonyloxyphenyl)methyl]phenyl] octyl carbonate
CID 150788215
7-phenylheptyl (2-propylphenyl) carbonate
CID 67251381
4-phenylbutyl (2-propylphenyl) carbonate
CID 67258124
ethyl (2-heptylphenyl) carbonate
CID 67181360
1-O-hexyl 4-O-(2-propylphenyl) (E)-but-2-enedioate
CID 91728031
10-O-(2-propylphenyl) 1-O-undecyl decanedioate
CID 91715656
5-O-(2-propylphenyl) 1-O-tridecyl pentanedioate
CID 91707946
1-O-nonyl 5-O-(2-propylphenyl) pentanedioate
CID 91707940
bis(2-propylphenyl) carbonate
CID 66781525

Frequently Asked Questions

What is the IUPAC name of hexyl (2-propylphenyl) carbonate?
The IUPAC name of hexyl (2-propylphenyl) carbonate (CID 67179757) is hexyl (2-propylphenyl) carbonate.
What is the SMILES notation for hexyl (2-propylphenyl) carbonate?
The canonical SMILES for hexyl (2-propylphenyl) carbonate is CCCCCCOC(=O)Oc1ccccc1CCC.
What is the InChIKey of hexyl (2-propylphenyl) carbonate?
The InChIKey is AYJGNGLXDIYYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-5-6-9-13-18-16(17)19-15-12-8-7-11-14(15)10-4-2/h7-8,11-12H,3-6,9-10,13H2,1-2H3.
What are the key properties of hexyl (2-propylphenyl) carbonate?
hexyl (2-propylphenyl) carbonate has a molecular weight of 264.36 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl (2-propylphenyl) carbonate is sourced from PubChem (CID 67179757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).