1-(but-3-en-2-yloxymethyl)-4-(ethenoxymethyl)cyclohexane

C14H24O2 — CID 144864849

IUPAC1-(but-3-en-2-yloxymethyl)-4-(ethenoxymethyl)cyclohexane
SMILESC=COCC1CCC(COC(C)C=C)CC1
InChIInChI=1S/C14H24O2/c1-4-12(3)16-11-14-8-6-13(7-9-14)10-15-5-2/h4-5,12-14H,1-2,6-11H2,3H3
InChIKeyCMOZCHVCZUZIHP-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.54
Rot. Bonds7

About 1-(but-3-en-2-yloxymethyl)-4-(ethenoxymethyl)cyclohexane

1-(but-3-en-2-yloxymethyl)-4-(ethenoxymethyl)cyclohexane (PubChem CID 144864849) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(but-3-en-2-yloxymethyl)-4-(ethenoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(but-3-en-2-yloxymethyl)-4-(ethenoxymethyl)cyclohexane
PubChem CID144864849
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(but-3-en-2-yloxymethyl)-4-(ethenoxymethyl)cyclohexane
SMILESC=COCC1CCC(COC(C)C=C)CC1
InChIInChI=1S/C14H24O2/c1-4-12(3)16-11-14-8-6-13(7-9-14)10-15-5-2/h4-5,12-14H,1-2,6-11H2,3H3
InChIKeyCMOZCHVCZUZIHP-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.54
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

[(1S)-1-methoxyprop-2-enyl]cyclohexane
CID 101659315
[(1R)-1-methoxyprop-2-enyl]cyclohexane
CID 101659316
1-Methoxyprop-2-enylcyclohexane
CID 14952085
1,4-Bis[(2-propenyloxy)methyl]cyclohexane
CID 18401299
1-Methyl-4-(prop-2-enoxymethyl)cyclohexane
CID 20670945
2-Ethenyl-5-(4-ethenylcyclohexyl)oxolane
CID 58555694
cis-(1S,3R)-1-(methoxymethyl)-3-prop-2-enoxycyclohexane
CID 59659178
2-[(But-3-en-2-yl)oxy]-4-methyl-1-(propan-2-yl)cyclohexane
CID 70191090
1-Methyl-4-[1-[(2-methylpropan-2-yl)oxy]prop-2-enyl]cyclohexane
CID 70556110
1-Methyl-2-prop-2-enoxycyclohexane
CID 88982369
1-Methyl-3-prop-2-enoxycyclohexane
CID 90739915
1-(Ethenoxymethyl)-4-(prop-2-enoxymethyl)cyclohexane
CID 126706411

Frequently Asked Questions

What is the IUPAC name of 1-(but-3-en-2-yloxymethyl)-4-(ethenoxymethyl)cyclohexane?
The IUPAC name of 1-(but-3-en-2-yloxymethyl)-4-(ethenoxymethyl)cyclohexane (CID 144864849) is 1-(but-3-en-2-yloxymethyl)-4-(ethenoxymethyl)cyclohexane.
What is the SMILES notation for 1-(but-3-en-2-yloxymethyl)-4-(ethenoxymethyl)cyclohexane?
The canonical SMILES for 1-(but-3-en-2-yloxymethyl)-4-(ethenoxymethyl)cyclohexane is C=COCC1CCC(COC(C)C=C)CC1.
What is the InChIKey of 1-(but-3-en-2-yloxymethyl)-4-(ethenoxymethyl)cyclohexane?
The InChIKey is CMOZCHVCZUZIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-12(3)16-11-14-8-6-13(7-9-14)10-15-5-2/h4-5,12-14H,1-2,6-11H2,3H3.
What are the key properties of 1-(but-3-en-2-yloxymethyl)-4-(ethenoxymethyl)cyclohexane?
1-(but-3-en-2-yloxymethyl)-4-(ethenoxymethyl)cyclohexane has a molecular weight of 224.34 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-3-en-2-yloxymethyl)-4-(ethenoxymethyl)cyclohexane is sourced from PubChem (CID 144864849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).