[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene

C14H18O — CID 100966369

IUPAC[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene
SMILESC=CCO[C@@](C)(CC=C)c1ccccc1
InChIInChI=1S/C14H18O/c1-4-11-14(3,15-12-5-2)13-9-7-6-8-10-13/h4-10H,1-2,11-12H2,3H3/t14-/m0/s1
InChIKeyWEZYYROMEYRAKF-AWEZNQCLSA-N
MW202.30 g/mol
LogP3.68
Rot. Bonds6

About [(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene

[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene (PubChem CID 100966369) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is [(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene.

Molecular Properties

Compound Name[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene
PubChem CID100966369
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene
SMILESC=CCO[C@@](C)(CC=C)c1ccccc1
InChIInChI=1S/C14H18O/c1-4-11-14(3,15-12-5-2)13-9-7-6-8-10-13/h4-10H,1-2,11-12H2,3H3/t14-/m0/s1
InChIKeyWEZYYROMEYRAKF-AWEZNQCLSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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
2-phenylpent-4-en-2-yl acetate
CID 15164764
(2R)-2-phenyl-2-prop-2-enoxypent-4-enal
CID 101079976
(2R)-2-phenyl-2-prop-2-enoxypent-4-en-1-ol
CID 101079972
2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine
CID 164882420
2-prop-2-enoxypent-3-yn-2-ylbenzene
CID 11321595
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
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
(1-methoxy-1-phenylbut-3-enyl)benzene;hydrate
CID 67237772
(1-ethenoxy-1-ethoxybut-3-enyl)benzene
CID 175202347
1-phenylbut-3-ene-1,1-diol
CID 134892936

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene?
The IUPAC name of [(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene (CID 100966369) is [(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene.
What is the SMILES notation for [(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene?
The canonical SMILES for [(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene is C=CCO[C@@](C)(CC=C)c1ccccc1.
What is the InChIKey of [(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene?
The InChIKey is WEZYYROMEYRAKF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18O/c1-4-11-14(3,15-12-5-2)13-9-7-6-8-10-13/h4-10H,1-2,11-12H2,3H3/t14-/m0/s1.
What are the key properties of [(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene?
[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene has a molecular weight of 202.30 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene is sourced from PubChem (CID 100966369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).