ethyl 6-phenylhexa-4,5-dienyl carbonate

C15H18O3 — CID 10800443

IUPACethyl 6-phenylhexa-4,5-dienyl carbonate
SMILESCCOC(=O)OCCCC=C=Cc1ccccc1
InChIInChI=1S/C15H18O3/c1-2-17-15(16)18-13-9-4-3-6-10-14-11-7-5-8-12-14/h3,5,7-8,10-12H,2,4,9,13H2,1H3
InChIKeyLIJGQRPVGSPXFK-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.81
Rot. Bonds6

About ethyl 6-phenylhexa-4,5-dienyl carbonate

ethyl 6-phenylhexa-4,5-dienyl carbonate (PubChem CID 10800443) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 6-phenylhexa-4,5-dienyl carbonate.

Molecular Properties

Compound Nameethyl 6-phenylhexa-4,5-dienyl carbonate
PubChem CID10800443
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameethyl 6-phenylhexa-4,5-dienyl carbonate
SMILESCCOC(=O)OCCCC=C=Cc1ccccc1
InChIInChI=1S/C15H18O3/c1-2-17-15(16)18-13-9-4-3-6-10-14-11-7-5-8-12-14/h3,5,7-8,10-12H,2,4,9,13H2,1H3
InChIKeyLIJGQRPVGSPXFK-UHFFFAOYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.81
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

5-phenylpenta-3,4-dienyl acetate
CID 166437890
octa-1,2-dienylbenzene
CID 12066892
ethyl 6-phenylhexyl carbonate
CID 67250774
ethyl 3-(4-phenoxyphenoxy)propyl carbonate
CID 10358376
benzyl [(Z)-non-4-enyl] carbonate
CID 135274084
CID 101448364
CID 101448364
2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene
CID 20503523
ethyl (E)-2-butoxy-3-phenylprop-2-enoate
CID 70582415
ethyl 6-phenylhexa-2,3-dienoate
CID 122224690
ethyl acetate;stilbene
CID 159556390
ethyl hex-5-enyl carbonate
CID 45140691
ethyl carbamate;stilbene
CID 175156091

Frequently Asked Questions

What is the IUPAC name of ethyl 6-phenylhexa-4,5-dienyl carbonate?
The IUPAC name of ethyl 6-phenylhexa-4,5-dienyl carbonate (CID 10800443) is ethyl 6-phenylhexa-4,5-dienyl carbonate.
What is the SMILES notation for ethyl 6-phenylhexa-4,5-dienyl carbonate?
The canonical SMILES for ethyl 6-phenylhexa-4,5-dienyl carbonate is CCOC(=O)OCCCC=C=Cc1ccccc1.
What is the InChIKey of ethyl 6-phenylhexa-4,5-dienyl carbonate?
The InChIKey is LIJGQRPVGSPXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-17-15(16)18-13-9-4-3-6-10-14-11-7-5-8-12-14/h3,5,7-8,10-12H,2,4,9,13H2,1H3.
What are the key properties of ethyl 6-phenylhexa-4,5-dienyl carbonate?
ethyl 6-phenylhexa-4,5-dienyl carbonate has a molecular weight of 246.31 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-phenylhexa-4,5-dienyl carbonate is sourced from PubChem (CID 10800443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).