1-methyl-4-(prop-2-enoxymethyl)cyclohexane

C11H20O — CID 20670945

IUPAC1-methyl-4-(prop-2-enoxymethyl)cyclohexane
SMILESC=CCOCC1CCC(C)CC1
InChIInChI=1S/C11H20O/c1-3-8-12-9-11-6-4-10(2)5-7-11/h3,10-11H,1,4-9H2,2H3
InChIKeyBCIGMPJUCOWOBT-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.02
Rot. Bonds4

About 1-methyl-4-(prop-2-enoxymethyl)cyclohexane

1-methyl-4-(prop-2-enoxymethyl)cyclohexane (PubChem CID 20670945) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-methyl-4-(prop-2-enoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(prop-2-enoxymethyl)cyclohexane
PubChem CID20670945
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-methyl-4-(prop-2-enoxymethyl)cyclohexane
SMILESC=CCOCC1CCC(C)CC1
InChIInChI=1S/C11H20O/c1-3-8-12-9-11-6-4-10(2)5-7-11/h3,10-11H,1,4-9H2,2H3
InChIKeyBCIGMPJUCOWOBT-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(prop-2-enoxymethyl)cyclohexane?
The IUPAC name of 1-methyl-4-(prop-2-enoxymethyl)cyclohexane (CID 20670945) is 1-methyl-4-(prop-2-enoxymethyl)cyclohexane.
What is the SMILES notation for 1-methyl-4-(prop-2-enoxymethyl)cyclohexane?
The canonical SMILES for 1-methyl-4-(prop-2-enoxymethyl)cyclohexane is C=CCOCC1CCC(C)CC1.
What is the InChIKey of 1-methyl-4-(prop-2-enoxymethyl)cyclohexane?
The InChIKey is BCIGMPJUCOWOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-8-12-9-11-6-4-10(2)5-7-11/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 1-methyl-4-(prop-2-enoxymethyl)cyclohexane?
1-methyl-4-(prop-2-enoxymethyl)cyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(prop-2-enoxymethyl)cyclohexane is sourced from PubChem (CID 20670945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).