1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane

C20H34O2 — CID 89187002

IUPAC1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane
SMILESC=C(C)C1CCC(C(=C)OCC2CCC(COC)CC2)CC1
InChIInChI=1S/C20H34O2/c1-15(2)19-9-11-20(12-10-19)16(3)22-14-18-7-5-17(6-8-18)13-21-4/h17-20H,1,3,5-14H2,2,4H3
InChIKeyGJDALYIWZJRAOO-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.35
Rot. Bonds7

About 1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane

1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane (PubChem CID 89187002) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane.

Molecular Properties

Compound Name1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane
PubChem CID89187002
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane
SMILESC=C(C)C1CCC(C(=C)OCC2CCC(COC)CC2)CC1
InChIInChI=1S/C20H34O2/c1-15(2)19-9-11-20(12-10-19)16(3)22-14-18-7-5-17(6-8-18)13-21-4/h17-20H,1,3,5-14H2,2,4H3
InChIKeyGJDALYIWZJRAOO-UHFFFAOYSA-N
XLogP5.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-(methoxymethyl)cyclohexane-1-carboxylate
CID 154481896
[4-(methoxymethyl)cyclohexyl]methanol
CID 19938783
1-(methoxymethyl)-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 19899769
CID 172731803
CID 172731803
1-[4-(methoxymethyl)cyclohexyl]-2-methylpropan-1-one
CID 166111938
N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine
CID 145088274
1-(ethenoxymethyl)-4-(methoxymethyl)cyclohexane
CID 22917925
methyl 4-[4-(methoxymethyl)cyclohexyl]cyclohexane-1-carboxylate
CID 70500440
cyclopropylmethyl acetate
CID 538333
[4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate
CID 59950478
1-ethyl-4-(1-pentoxyethenyl)cyclohexane
CID 140668571
(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
CID 22737447

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane?
The IUPAC name of 1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane (CID 89187002) is 1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane.
What is the SMILES notation for 1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane?
The canonical SMILES for 1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane is C=C(C)C1CCC(C(=C)OCC2CCC(COC)CC2)CC1.
What is the InChIKey of 1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane?
The InChIKey is GJDALYIWZJRAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-15(2)19-9-11-20(12-10-19)16(3)22-14-18-7-5-17(6-8-18)13-21-4/h17-20H,1,3,5-14H2,2,4H3.
What are the key properties of 1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane?
1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane has a molecular weight of 306.49 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-[1-(4-prop-1-en-2-ylcyclohexyl)ethenoxymethyl]cyclohexane is sourced from PubChem (CID 89187002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).