ethyl 6-phenylhexyl carbonate

C15H22O3 — CID 67250774

IUPACethyl 6-phenylhexyl carbonate
SMILESCCOC(=O)OCCCCCCc1ccccc1
InChIInChI=1S/C15H22O3/c1-2-17-15(16)18-13-9-4-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3
InChIKeyFJNQJEQLFFCUNH-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.96
Rot. Bonds8

About ethyl 6-phenylhexyl carbonate

ethyl 6-phenylhexyl carbonate (PubChem CID 67250774) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 6-phenylhexyl carbonate.

Molecular Properties

Compound Nameethyl 6-phenylhexyl carbonate
PubChem CID67250774
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nameethyl 6-phenylhexyl carbonate
SMILESCCOC(=O)OCCCCCCc1ccccc1
InChIInChI=1S/C15H22O3/c1-2-17-15(16)18-13-9-4-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3
InChIKeyFJNQJEQLFFCUNH-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
(4-pentylphenyl) 5-phenylpentyl carbonate
CID 118690324
8-phenyloctyl carbamate
CID 67180735
ethoxycarbonyl 5-phenylpentanoate
CID 174404488
(4-butylphenyl) 4-phenylbutyl carbonate
CID 118690278
6-phenylhexyl (2,3,4-trimethylphenyl) carbonate
CID 67258477
(2,3-dimethylphenyl) 7-phenylheptyl carbonate
CID 67251149
7-phenylheptyl (2-propylphenyl) carbonate
CID 67251381
4-phenylbutyl butanoate
CID 59678642
(4-methylphenyl)methyl 3-phenylpropyl carbonate
CID 22889315
5-phenylpentyl octanoate
CID 102283660
decyl 5-phenylpentanoate
CID 91723581

Frequently Asked Questions

What is the IUPAC name of ethyl 6-phenylhexyl carbonate?
The IUPAC name of ethyl 6-phenylhexyl carbonate (CID 67250774) is ethyl 6-phenylhexyl carbonate.
What is the SMILES notation for ethyl 6-phenylhexyl carbonate?
The canonical SMILES for ethyl 6-phenylhexyl carbonate is CCOC(=O)OCCCCCCc1ccccc1.
What is the InChIKey of ethyl 6-phenylhexyl carbonate?
The InChIKey is FJNQJEQLFFCUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-2-17-15(16)18-13-9-4-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3.
What are the key properties of ethyl 6-phenylhexyl carbonate?
ethyl 6-phenylhexyl carbonate has a molecular weight of 250.34 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-phenylhexyl carbonate is sourced from PubChem (CID 67250774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).