[(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene

C17H26O2 — CID 21423450

IUPAC[(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene
SMILESCC(C)OC(/C=C/C(C)c1ccccc1)OC(C)C
InChIInChI=1S/C17H26O2/c1-13(2)18-17(19-14(3)4)12-11-15(5)16-9-7-6-8-10-16/h6-15,17H,1-5H3/b12-11+
InChIKeyOTQLFZROIXNHNK-VAWYXSNFSA-N
MW262.39 g/mol
LogP4.52
Rot. Bonds7

About [(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene

[(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene (PubChem CID 21423450) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is [(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene.

Molecular Properties

Compound Name[(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene
PubChem CID21423450
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name[(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene
SMILESCC(C)OC(/C=C/C(C)c1ccccc1)OC(C)C
InChIInChI=1S/C17H26O2/c1-13(2)18-17(19-14(3)4)12-11-15(5)16-9-7-6-8-10-16/h6-15,17H,1-5H3/b12-11+
InChIKeyOTQLFZROIXNHNK-VAWYXSNFSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-pent-3-en-2-yl]benzene
CID 12697650
[(Z)-4-methoxybut-3-en-2-yl]benzene
CID 10558945
(E)-3-phenylbut-1-en-1-amine
CID 22024726
1-bromo-4-(3-phenylbut-1-enyl)benzene
CID 162347455
(2R)-2-phenyl-2-propan-2-yloxyacetaldehyde
CID 124578012
(Z)-4-phenylpent-2-en-1-ol
CID 10725679
5-chloropent-3-en-2-ylbenzene
CID 71345200
3-phenylbut-1-enyl acetate
CID 154165575
(2R,3R)-3-[(E,3S)-3-phenylbut-1-enoxy]butan-2-ol
CID 135045876
2-phenylpropaneselenal
CID 141365712
4-phenylpent-2-enylbenzene
CID 72731182
trimethyl-[(E)-4-phenylpent-2-enyl]silane
CID 10889393

Frequently Asked Questions

What is the IUPAC name of [(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene?
The IUPAC name of [(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene (CID 21423450) is [(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene.
What is the SMILES notation for [(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene?
The canonical SMILES for [(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene is CC(C)OC(/C=C/C(C)c1ccccc1)OC(C)C.
What is the InChIKey of [(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene?
The InChIKey is OTQLFZROIXNHNK-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H26O2/c1-13(2)18-17(19-14(3)4)12-11-15(5)16-9-7-6-8-10-16/h6-15,17H,1-5H3/b12-11+.
What are the key properties of [(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene?
[(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene has a molecular weight of 262.39 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene is sourced from PubChem (CID 21423450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).