2-methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane

C14H24O2 — CID 139896225

IUPAC2-methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane
SMILESC=CCOCC1(OC=CC)CCCCC1C
InChIInChI=1S/C14H24O2/c1-4-10-15-12-14(16-11-5-2)9-7-6-8-13(14)3/h4-5,11,13H,1,6-10,12H2,2-3H3
InChIKeyMSRROSQQGUQDCN-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds6

About 2-methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane

2-methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane (PubChem CID 139896225) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane.

Molecular Properties

Compound Name2-methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane
PubChem CID139896225
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane
SMILESC=CCOCC1(OC=CC)CCCCC1C
InChIInChI=1S/C14H24O2/c1-4-10-15-12-14(16-11-5-2)9-7-6-8-13(14)3/h4-5,11,13H,1,6-10,12H2,2-3H3
InChIKeyMSRROSQQGUQDCN-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1s,2s)-1-Methyl-1,2-bis(prop-2-en-1-yloxy)-cyclohexane
CID 134158789
1-(1-Ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
CID 135074050
1-Prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane
CID 139896285
cis-(1S,2S)-1-(1-ethoxyethenyl)-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexane
CID 102073162

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane?
The IUPAC name of 2-methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane (CID 139896225) is 2-methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane.
What is the SMILES notation for 2-methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane?
The canonical SMILES for 2-methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane is C=CCOCC1(OC=CC)CCCCC1C.
What is the InChIKey of 2-methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane?
The InChIKey is MSRROSQQGUQDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-10-15-12-14(16-11-5-2)9-7-6-8-13(14)3/h4-5,11,13H,1,6-10,12H2,2-3H3.
What are the key properties of 2-methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane?
2-methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane has a molecular weight of 224.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane is sourced from PubChem (CID 139896225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).