1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene

C19H26O — CID 145028518

IUPAC1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene
SMILESC=C/C=C(/CC1CC1)c1cc(OC)ccc1C(C)CC
InChIInChI=1S/C19H26O/c1-5-7-16(12-15-8-9-15)19-13-17(20-4)10-11-18(19)14(3)6-2/h5,7,10-11,13-15H,1,6,8-9,12H2,2-4H3/b16-7-
InChIKeyUMEIOYFKIGJBBF-APSNUPSMSA-N
MW270.42 g/mol
LogP5.58
Rot. Bonds7

About 1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene

1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene (PubChem CID 145028518) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene.

Molecular Properties

Compound Name1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene
PubChem CID145028518
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene
SMILESC=C/C=C(/CC1CC1)c1cc(OC)ccc1C(C)CC
InChIInChI=1S/C19H26O/c1-5-7-16(12-15-8-9-15)19-13-17(20-4)10-11-18(19)14(3)6-2/h5,7,10-11,13-15H,1,6,8-9,12H2,2-4H3/b16-7-
InChIKeyUMEIOYFKIGJBBF-APSNUPSMSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene?
The IUPAC name of 1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene (CID 145028518) is 1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene.
What is the SMILES notation for 1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene?
The canonical SMILES for 1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene is C=C/C=C(/CC1CC1)c1cc(OC)ccc1C(C)CC.
What is the InChIKey of 1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene?
The InChIKey is UMEIOYFKIGJBBF-APSNUPSMSA-N. The full InChI is InChI=1S/C19H26O/c1-5-7-16(12-15-8-9-15)19-13-17(20-4)10-11-18(19)14(3)6-2/h5,7,10-11,13-15H,1,6,8-9,12H2,2-4H3/b16-7-.
What are the key properties of 1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene?
1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene has a molecular weight of 270.42 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene is sourced from PubChem (CID 145028518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).