1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene

C20H24O — CID 131983554

IUPAC1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene
SMILESC=CC(OC(C1=CCCC1)C1=CCCC1)c1ccccc1
InChIInChI=1S/C20H24O/c1-2-19(16-10-4-3-5-11-16)21-20(17-12-6-7-13-17)18-14-8-9-15-18/h2-5,10-12,14,19-20H,1,6-9,13,15H2
InChIKeyQWGFMBFHYMNDPM-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.52
Rot. Bonds6

About 1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene

1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene (PubChem CID 131983554) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene.

Molecular Properties

Compound Name1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene
PubChem CID131983554
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene
SMILESC=CC(OC(C1=CCCC1)C1=CCCC1)c1ccccc1
InChIInChI=1S/C20H24O/c1-2-19(16-10-4-3-5-11-16)21-20(17-12-6-7-13-17)18-14-8-9-15-18/h2-5,10-12,14,19-20H,1,6-9,13,15H2
InChIKeyQWGFMBFHYMNDPM-UHFFFAOYSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene?
The IUPAC name of 1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene (CID 131983554) is 1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene.
What is the SMILES notation for 1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene?
The canonical SMILES for 1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene is C=CC(OC(C1=CCCC1)C1=CCCC1)c1ccccc1.
What is the InChIKey of 1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene?
The InChIKey is QWGFMBFHYMNDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-2-19(16-10-4-3-5-11-16)21-20(17-12-6-7-13-17)18-14-8-9-15-18/h2-5,10-12,14,19-20H,1,6-9,13,15H2.
What are the key properties of 1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene?
1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene has a molecular weight of 280.41 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(cyclopenten-1-yl)methoxy]prop-2-enylbenzene is sourced from PubChem (CID 131983554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).