1-[1-(2-tert-butylcyclohexyl)oxybutan-2-yloxy]prop-1-en-2-ylbenzene

C23H36O2 — CID 151341888

IUPAC1-[1-(2-tert-butylcyclohexyl)oxybutan-2-yloxy]prop-1-en-2-ylbenzene
SMILESCCC(COC1CCCCC1C(C)(C)C)OC=C(C)c1ccccc1
InChIInChI=1S/C23H36O2/c1-6-20(24-16-18(2)19-12-8-7-9-13-19)17-25-22-15-11-10-14-21(22)23(3,4)5/h7-9,12-13,16,20-22H,6,10-11,14-15,17H2,1-5H3
InChIKeyOKQRSUGHLDKZRK-UHFFFAOYSA-N
MW344.54 g/mol
LogP6.46
Rot. Bonds7

About 1-[1-(2-tert-butylcyclohexyl)oxybutan-2-yloxy]prop-1-en-2-ylbenzene

1-[1-(2-tert-butylcyclohexyl)oxybutan-2-yloxy]prop-1-en-2-ylbenzene (PubChem CID 151341888) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is 1-[1-(2-tert-butylcyclohexyl)oxybutan-2-yloxy]prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-[1-(2-tert-butylcyclohexyl)oxybutan-2-yloxy]prop-1-en-2-ylbenzene
PubChem CID151341888
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name1-[1-(2-tert-butylcyclohexyl)oxybutan-2-yloxy]prop-1-en-2-ylbenzene
SMILESCCC(COC1CCCCC1C(C)(C)C)OC=C(C)c1ccccc1
InChIInChI=1S/C23H36O2/c1-6-20(24-16-18(2)19-12-8-7-9-13-19)17-25-22-15-11-10-14-21(22)23(3,4)5/h7-9,12-13,16,20-22H,6,10-11,14-15,17H2,1-5H3
InChIKeyOKQRSUGHLDKZRK-UHFFFAOYSA-N
XLogP6.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-tert-butylcyclohexyl)oxybutan-2-yloxy]prop-1-en-2-ylbenzene?
The IUPAC name of 1-[1-(2-tert-butylcyclohexyl)oxybutan-2-yloxy]prop-1-en-2-ylbenzene (CID 151341888) is 1-[1-(2-tert-butylcyclohexyl)oxybutan-2-yloxy]prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-[1-(2-tert-butylcyclohexyl)oxybutan-2-yloxy]prop-1-en-2-ylbenzene?
The canonical SMILES for 1-[1-(2-tert-butylcyclohexyl)oxybutan-2-yloxy]prop-1-en-2-ylbenzene is CCC(COC1CCCCC1C(C)(C)C)OC=C(C)c1ccccc1.
What is the InChIKey of 1-[1-(2-tert-butylcyclohexyl)oxybutan-2-yloxy]prop-1-en-2-ylbenzene?
The InChIKey is OKQRSUGHLDKZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O2/c1-6-20(24-16-18(2)19-12-8-7-9-13-19)17-25-22-15-11-10-14-21(22)23(3,4)5/h7-9,12-13,16,20-22H,6,10-11,14-15,17H2,1-5H3.
What are the key properties of 1-[1-(2-tert-butylcyclohexyl)oxybutan-2-yloxy]prop-1-en-2-ylbenzene?
1-[1-(2-tert-butylcyclohexyl)oxybutan-2-yloxy]prop-1-en-2-ylbenzene has a molecular weight of 344.54 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-tert-butylcyclohexyl)oxybutan-2-yloxy]prop-1-en-2-ylbenzene is sourced from PubChem (CID 151341888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).