1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane

C19H32O — CID 56624136

IUPAC1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane
SMILESC=CC1CCC(C2CCC(COCC=CC)CC2)CC1
InChIInChI=1S/C19H32O/c1-3-5-14-20-15-17-8-12-19(13-9-17)18-10-6-16(4-2)7-11-18/h3-5,16-19H,2,6-15H2,1H3
InChIKeyYOSPJGROIFYFFM-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.38
Rot. Bonds6

About 1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane

1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane (PubChem CID 56624136) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane
PubChem CID56624136
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane
SMILESC=CC1CCC(C2CCC(COCC=CC)CC2)CC1
InChIInChI=1S/C19H32O/c1-3-5-14-20-15-17-8-12-19(13-9-17)18-10-6-16(4-2)7-11-18/h3-5,16-19H,2,6-15H2,1H3
InChIKeyYOSPJGROIFYFFM-UHFFFAOYSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(but-2-enoxymethyl)-4-(4-but-3-enylcyclohexyl)cyclohexane
CID 56628373
1-[[(Z)-but-2-enoxy]methyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 67898633
1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane
CID 130414810
1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane
CID 56633881
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(Z)-hex-4-enyl]cyclohexyl]cyclohexane
CID 67898278
1-[[(Z)-but-2-enoxy]methyl]-4-(4-butylcyclohexyl)cyclohexane
CID 67898877
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane
CID 67898774
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hex-3-enyl]cyclohexyl]cyclohexane
CID 67898727
1-(4-ethenylcyclohexyl)-4-[(E)-pent-3-enyl]cycloheptane
CID 142082200
1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 19899776
1-[(E)-but-2-enyl]-4-(4-prop-2-enoxycyclohexyl)cyclohexane
CID 67864622
3-(but-2-enoxymethyl)oxetane
CID 68770280

Frequently Asked Questions

What is the IUPAC name of 1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane?
The IUPAC name of 1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane (CID 56624136) is 1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane is C=CC1CCC(C2CCC(COCC=CC)CC2)CC1.
What is the InChIKey of 1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane?
The InChIKey is YOSPJGROIFYFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-3-5-14-20-15-17-8-12-19(13-9-17)18-10-6-16(4-2)7-11-18/h3-5,16-19H,2,6-15H2,1H3.
What are the key properties of 1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane?
1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane has a molecular weight of 276.46 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane is sourced from PubChem (CID 56624136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).