1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane

C20H34O — CID 67898606

IUPAC1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane
SMILESCC=CC1CCC(C2CCC(COC=CCC)CC2)CC1
InChIInChI=1S/C20H34O/c1-3-5-15-21-16-18-9-13-20(14-10-18)19-11-7-17(6-4-2)8-12-19/h4-6,15,17-20H,3,7-14,16H2,1-2H3
InChIKeyMGNMTJSRZARQGR-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.12
Rot. Bonds6

About 1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane

1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane (PubChem CID 67898606) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane
PubChem CID67898606
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane
SMILESCC=CC1CCC(C2CCC(COC=CCC)CC2)CC1
InChIInChI=1S/C20H34O/c1-3-5-15-21-16-18-9-13-20(14-10-18)19-11-7-17(6-4-2)8-12-19/h4-6,15,17-20H,3,7-14,16H2,1-2H3
InChIKeyMGNMTJSRZARQGR-UHFFFAOYSA-N
XLogP6.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-1-enoxymethyl)-4-(4-pent-1-enylcyclohexyl)cyclohexane
CID 67898621
1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane
CID 158214961
1-cyclopropyl-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methyl]cyclohexane
CID 158220965
1-ethyl-4-[(E)-prop-1-enyl]cyclohexane
CID 59981886
1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane
CID 56633881
1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol
CID 54475864
1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 54021593
1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
1-(methoxymethyl)-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19899833

Frequently Asked Questions

What is the IUPAC name of 1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane?
The IUPAC name of 1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane (CID 67898606) is 1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane is CC=CC1CCC(C2CCC(COC=CCC)CC2)CC1.
What is the InChIKey of 1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane?
The InChIKey is MGNMTJSRZARQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-3-5-15-21-16-18-9-13-20(14-10-18)19-11-7-17(6-4-2)8-12-19/h4-6,15,17-20H,3,7-14,16H2,1-2H3.
What are the key properties of 1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane?
1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane has a molecular weight of 290.49 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane is sourced from PubChem (CID 67898606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).