(2R)-2-phenyl-2-prop-2-enoxypent-4-enal

C14H16O2 — CID 101079976

IUPAC(2R)-2-phenyl-2-prop-2-enoxypent-4-enal
SMILESC=CCO[C@](C=O)(CC=C)c1ccccc1
InChIInChI=1S/C14H16O2/c1-3-10-14(12-15,16-11-4-2)13-8-6-5-7-9-13/h3-9,12H,1-2,10-11H2/t14-/m0/s1
InChIKeyYTMCJTQYOKXPRM-AWEZNQCLSA-N
MW216.28 g/mol
LogP2.86
Rot. Bonds7

About (2R)-2-phenyl-2-prop-2-enoxypent-4-enal

(2R)-2-phenyl-2-prop-2-enoxypent-4-enal (PubChem CID 101079976) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-2-phenyl-2-prop-2-enoxypent-4-enal.

Molecular Properties

Compound Name(2R)-2-phenyl-2-prop-2-enoxypent-4-enal
PubChem CID101079976
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(2R)-2-phenyl-2-prop-2-enoxypent-4-enal
SMILESC=CCO[C@](C=O)(CC=C)c1ccccc1
InChIInChI=1S/C14H16O2/c1-3-10-14(12-15,16-11-4-2)13-8-6-5-7-9-13/h3-9,12H,1-2,10-11H2/t14-/m0/s1
InChIKeyYTMCJTQYOKXPRM-AWEZNQCLSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966368
[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966369
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
(2R)-2-phenyl-2-prop-2-enoxypent-4-en-1-ol
CID 101079972
1-phenylbut-3-ene-1,1-diol
CID 134892936
methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate
CID 101079952
[(3S,4R)-3,4-bis(prop-2-enoxy)hepta-1,6-dien-4-yl]benzene
CID 101079968
4-phenylhepta-1,6-diene-4-sulfonamide
CID 174876491
1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 15527575
2-phenylpent-4-en-2-yl acetate
CID 15164764
(2-nitro-1-phenyl-1-prop-2-enoxyethyl)benzene
CID 11000538
2,2-diphenylpropanedial
CID 15324204

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-prop-2-enoxypent-4-enal?
The IUPAC name of (2R)-2-phenyl-2-prop-2-enoxypent-4-enal (CID 101079976) is (2R)-2-phenyl-2-prop-2-enoxypent-4-enal.
What is the SMILES notation for (2R)-2-phenyl-2-prop-2-enoxypent-4-enal?
The canonical SMILES for (2R)-2-phenyl-2-prop-2-enoxypent-4-enal is C=CCO[C@](C=O)(CC=C)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-prop-2-enoxypent-4-enal?
The InChIKey is YTMCJTQYOKXPRM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-10-14(12-15,16-11-4-2)13-8-6-5-7-9-13/h3-9,12H,1-2,10-11H2/t14-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-prop-2-enoxypent-4-enal?
(2R)-2-phenyl-2-prop-2-enoxypent-4-enal has a molecular weight of 216.28 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-prop-2-enoxypent-4-enal is sourced from PubChem (CID 101079976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).