(4-decylphenyl) methyl carbonate

C18H28O3 — CID 118690238

IUPAC(4-decylphenyl) methyl carbonate
SMILESCCCCCCCCCCc1ccc(OC(=O)OC)cc1
InChIInChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-11-16-12-14-17(15-13-16)21-18(19)20-2/h12-15H,3-11H2,1-2H3
InChIKeyQQYKMTTVOCZEMF-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.51
Rot. Bonds10

About (4-decylphenyl) methyl carbonate

(4-decylphenyl) methyl carbonate (PubChem CID 118690238) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is (4-decylphenyl) methyl carbonate.

Molecular Properties

Compound Name(4-decylphenyl) methyl carbonate
PubChem CID118690238
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name(4-decylphenyl) methyl carbonate
SMILESCCCCCCCCCCc1ccc(OC(=O)OC)cc1
InChIInChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-11-16-12-14-17(15-13-16)21-18(19)20-2/h12-15H,3-11H2,1-2H3
InChIKeyQQYKMTTVOCZEMF-UHFFFAOYSA-N
XLogP5.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.51
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

methyl (4-octylphenyl) carbonate
CID 118690298
bis[4-(4-dodecylphenyl)phenyl] carbonate
CID 141076515
butyl (4-decylphenyl) carbonate
CID 118690266
(4-decylphenyl) heptyl carbonate
CID 118690290
(4-fluorophenyl) (4-hexylphenyl) carbonate
CID 70425086
ethyl (4-pentylphenyl) carbonate
CID 118690159
(4-decylphenyl) acetate
CID 57064765
(4-hexadecylphenyl) dodecanoate
CID 70230954
(4-pentylphenyl) 5-phenylpentyl carbonate
CID 118690324
[4-(4-nonylphenyl)phenyl] hydrogen carbonate
CID 67830948
2-(4-octylphenoxy)propanoic acid
CID 158773320
(2-chlorophenyl) (4-nonylphenyl) carbonate
CID 22994736

Frequently Asked Questions

What is the IUPAC name of (4-decylphenyl) methyl carbonate?
The IUPAC name of (4-decylphenyl) methyl carbonate (CID 118690238) is (4-decylphenyl) methyl carbonate.
What is the SMILES notation for (4-decylphenyl) methyl carbonate?
The canonical SMILES for (4-decylphenyl) methyl carbonate is CCCCCCCCCCc1ccc(OC(=O)OC)cc1.
What is the InChIKey of (4-decylphenyl) methyl carbonate?
The InChIKey is QQYKMTTVOCZEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-11-16-12-14-17(15-13-16)21-18(19)20-2/h12-15H,3-11H2,1-2H3.
What are the key properties of (4-decylphenyl) methyl carbonate?
(4-decylphenyl) methyl carbonate has a molecular weight of 292.42 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-decylphenyl) methyl carbonate is sourced from PubChem (CID 118690238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).