6-phenylhex-5-enyl formate

C13H16O2 — CID 91069626

IUPAC6-phenylhex-5-enyl formate
SMILESO=COCCCCC=Cc1ccccc1
InChIInChI=1S/C13H16O2/c14-12-15-11-7-2-1-4-8-13-9-5-3-6-10-13/h3-6,8-10,12H,1-2,7,11H2
InChIKeyYFBPZMKFEKVXHG-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.04
Rot. Bonds7

About 6-phenylhex-5-enyl formate

6-phenylhex-5-enyl formate (PubChem CID 91069626) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-phenylhex-5-enyl formate.

Molecular Properties

Compound Name6-phenylhex-5-enyl formate
PubChem CID91069626
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name6-phenylhex-5-enyl formate
SMILESO=COCCCCC=Cc1ccccc1
InChIInChI=1S/C13H16O2/c14-12-15-11-7-2-1-4-8-13-9-5-3-6-10-13/h3-6,8-10,12H,1-2,7,11H2
InChIKeyYFBPZMKFEKVXHG-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbut-3-enyl formate
CID 91350820
6-(4-chlorophenyl)hex-5-enyl formate
CID 91353825
6-phenylhex-5-enoxysilane
CID 123359434
5-phenoxypent-1-enylbenzene
CID 173201484
[(E)-6-bromohex-1-enyl]benzene
CID 11172477
5-ethoxypent-1-enylbenzene
CID 54285670
(E)-5-phenylpent-4-enal
CID 11105652
[(E)-octadec-1-enyl]benzene
CID 22722345
(E)-9-phenylnon-8-en-1-ol
CID 10489025
[(E)-5-iodopent-1-enyl]benzene
CID 87330563
[(E)-5-bromopent-1-enyl]benzene
CID 10977131
18-phenyloctadecyl formate
CID 173425595

Frequently Asked Questions

What is the IUPAC name of 6-phenylhex-5-enyl formate?
The IUPAC name of 6-phenylhex-5-enyl formate (CID 91069626) is 6-phenylhex-5-enyl formate.
What is the SMILES notation for 6-phenylhex-5-enyl formate?
The canonical SMILES for 6-phenylhex-5-enyl formate is O=COCCCCC=Cc1ccccc1.
What is the InChIKey of 6-phenylhex-5-enyl formate?
The InChIKey is YFBPZMKFEKVXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-12-15-11-7-2-1-4-8-13-9-5-3-6-10-13/h3-6,8-10,12H,1-2,7,11H2.
What are the key properties of 6-phenylhex-5-enyl formate?
6-phenylhex-5-enyl formate has a molecular weight of 204.27 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylhex-5-enyl formate is sourced from PubChem (CID 91069626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).