1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane

C16H26O — CID 135074718

IUPAC1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
SMILESC=CCOC1(/C(C)=C/C)CCCCC1C(=C)C
InChIInChI=1S/C16H26O/c1-6-12-17-16(14(5)7-2)11-9-8-10-15(16)13(3)4/h6-7,15H,1,3,8-12H2,2,4-5H3/b14-7+
InChIKeyQHGUYTYWUGNRBG-VGOFMYFVSA-N
MW234.38 g/mol
LogP4.66
Rot. Bonds5

About 1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane

1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane (PubChem CID 135074718) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
PubChem CID135074718
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
SMILESC=CCOC1(/C(C)=C/C)CCCCC1C(=C)C
InChIInChI=1S/C16H26O/c1-6-12-17-16(14(5)7-2)11-9-8-10-15(16)13(3)4/h6-7,15H,1,3,8-12H2,2,4-5H3/b14-7+
InChIKeyQHGUYTYWUGNRBG-VGOFMYFVSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bisabolene oxide
CID 56842615
1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
(2S,4S,5R)-4,8-dimethyl-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
CID 162941234
4-Methyl-1-oxaspiro[5.5]undec-3-ene
CID 11116424
2-Butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene
CID 11085729
[(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane
CID 11858809
2-Butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene
CID 11117996
(6R)-6-cyclohexyl-6-prop-2-enyl-2,5-dihydropyran
CID 11218009
(1-Prop-2-enoxycyclopent-3-en-1-yl)cyclohexane
CID 11447088
(2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran
CID 12023486
(2S,3R)-3-butyl-2-cyclohexyl-3,6-dihydro-2H-pyran
CID 101147571
(2R,6S)-2-cyclohexyl-6-methyl-3,6-dihydro-2H-pyran
CID 131845051

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane (CID 135074718) is 1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane is C=CCOC1(/C(C)=C/C)CCCCC1C(=C)C.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane?
The InChIKey is QHGUYTYWUGNRBG-VGOFMYFVSA-N. The full InChI is InChI=1S/C16H26O/c1-6-12-17-16(14(5)7-2)11-9-8-10-15(16)13(3)4/h6-7,15H,1,3,8-12H2,2,4-5H3/b14-7+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane?
1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane has a molecular weight of 234.38 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 135074718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).