[(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene

C14H20O — CID 134879348

IUPAC[(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene
SMILESCC(C)(C)O/C=C\CCc1ccccc1
InChIInChI=1S/C14H20O/c1-14(2,3)15-12-8-7-11-13-9-5-4-6-10-13/h4-6,8-10,12H,7,11H2,1-3H3/b12-8-
InChIKeyHNVRLVFXOYWOEC-WQLSENKSSA-N
MW204.31 g/mol
LogP3.95
Rot. Bonds4

About [(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene

[(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene (PubChem CID 134879348) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is [(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene.

Molecular Properties

Compound Name[(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene
PubChem CID134879348
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name[(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene
SMILESCC(C)(C)O/C=C\CCc1ccccc1
InChIInChI=1S/C14H20O/c1-14(2,3)15-12-8-7-11-13-9-5-4-6-10-13/h4-6,8-10,12H,7,11H2,1-3H3/b12-8-
InChIKeyHNVRLVFXOYWOEC-WQLSENKSSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane
CID 102572986
[(E)-5,5-dimethoxyhex-3-enyl]benzene
CID 10656559
2-methyl-6-phenylhex-3-en-2-ol
CID 73102528
pent-3-enylbenzene
CID 519421
2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene
CID 100923189
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
hepta-3,5-dienylbenzene
CID 54230830
[(Z)-5,5-dimethoxypent-3-enyl]benzene
CID 102219154
dimethyl (Z)-2,3-bis[(E)-4-phenylbut-1-enyl]but-2-enedioate
CID 11211860
[(E)-5-chloropent-3-enyl]benzene
CID 101263863
2-[(E)-4-phenylbut-1-enyl]furan
CID 169432346

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene?
The IUPAC name of [(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene (CID 134879348) is [(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene.
What is the SMILES notation for [(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene?
The canonical SMILES for [(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene is CC(C)(C)O/C=C\CCc1ccccc1.
What is the InChIKey of [(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene?
The InChIKey is HNVRLVFXOYWOEC-WQLSENKSSA-N. The full InChI is InChI=1S/C14H20O/c1-14(2,3)15-12-8-7-11-13-9-5-4-6-10-13/h4-6,8-10,12H,7,11H2,1-3H3/b12-8-.
What are the key properties of [(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene?
[(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene has a molecular weight of 204.31 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene is sourced from PubChem (CID 134879348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).