1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane

C20H34O — CID 56633881

IUPAC1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane
SMILESC=CCOCC1CCC(C2CCC(C=CCC)CC2)CC1
InChIInChI=1S/C20H34O/c1-3-5-6-17-7-11-19(12-8-17)20-13-9-18(10-14-20)16-21-15-4-2/h4-6,17-20H,2-3,7-16H2,1H3
InChIKeyHANQDSXAQWYUIE-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.77
Rot. Bonds7

About 1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane

1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane (PubChem CID 56633881) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane
PubChem CID56633881
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane
SMILESC=CCOCC1CCC(C2CCC(C=CCC)CC2)CC1
InChIInChI=1S/C20H34O/c1-3-5-6-17-7-11-19(12-8-17)20-13-9-18(10-14-20)16-21-15-4-2/h4-6,17-20H,2-3,7-16H2,1H3
InChIKeyHANQDSXAQWYUIE-UHFFFAOYSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.77
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-1-enoxymethyl)-4-(4-but-1-enylcyclohexyl)cyclohexane
CID 67898747
1-(but-2-enoxymethyl)-4-(4-ethenylcyclohexyl)cyclohexane
CID 56624136
1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 19899765
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane
CID 67898774
1-(but-1-enoxymethyl)-4-(4-pent-1-enylcyclohexyl)cyclohexane
CID 67898621
1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 19899776
1-but-1-enyl-4-[4-[4-(4-ethylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54321216
1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane
CID 18656587
1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 67898606
1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane
CID 158214961
1-but-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexane
CID 54450676
1-(but-2-enoxymethyl)-4-(4-but-3-enylcyclohexyl)cyclohexane
CID 56628373

Frequently Asked Questions

What is the IUPAC name of 1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane (CID 56633881) is 1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane is C=CCOCC1CCC(C2CCC(C=CCC)CC2)CC1.
What is the InChIKey of 1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane?
The InChIKey is HANQDSXAQWYUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-3-5-6-17-7-11-19(12-8-17)20-13-9-18(10-14-20)16-21-15-4-2/h4-6,17-20H,2-3,7-16H2,1H3.
What are the key properties of 1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane?
1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane has a molecular weight of 290.49 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 56633881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).