1-methoxy-1-prop-2-enylcyclohexane

C10H18O — CID 10964733

IUPAC1-methoxy-1-prop-2-enylcyclohexane
SMILESC=CCC1(OC)CCCCC1
InChIInChI=1S/C10H18O/c1-3-7-10(11-2)8-5-4-6-9-10/h3H,1,4-9H2,2H3
InChIKeyQJLUJDAFAZJIFP-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds3

About 1-methoxy-1-prop-2-enylcyclohexane

1-methoxy-1-prop-2-enylcyclohexane (PubChem CID 10964733) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-methoxy-1-prop-2-enylcyclohexane.

Molecular Properties

Compound Name1-methoxy-1-prop-2-enylcyclohexane
PubChem CID10964733
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-methoxy-1-prop-2-enylcyclohexane
SMILESC=CCC1(OC)CCCCC1
InChIInChI=1S/C10H18O/c1-3-7-10(11-2)8-5-4-6-9-10/h3H,1,4-9H2,2H3
InChIKeyQJLUJDAFAZJIFP-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-prop-2-enylcyclohexane?
The IUPAC name of 1-methoxy-1-prop-2-enylcyclohexane (CID 10964733) is 1-methoxy-1-prop-2-enylcyclohexane.
What is the SMILES notation for 1-methoxy-1-prop-2-enylcyclohexane?
The canonical SMILES for 1-methoxy-1-prop-2-enylcyclohexane is C=CCC1(OC)CCCCC1.
What is the InChIKey of 1-methoxy-1-prop-2-enylcyclohexane?
The InChIKey is QJLUJDAFAZJIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-7-10(11-2)8-5-4-6-9-10/h3H,1,4-9H2,2H3.
What are the key properties of 1-methoxy-1-prop-2-enylcyclohexane?
1-methoxy-1-prop-2-enylcyclohexane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-prop-2-enylcyclohexane is sourced from PubChem (CID 10964733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).