4-methoxy-1-methylidene-2-prop-2-ynoxycyclohexane

C11H16O2 — CID 123581621

IUPAC4-methoxy-1-methylidene-2-prop-2-ynoxycyclohexane
SMILESC#CCOC1CC(OC)CCC1=C
InChIInChI=1S/C11H16O2/c1-4-7-13-11-8-10(12-3)6-5-9(11)2/h1,10-11H,2,5-8H2,3H3
InChIKeyBZACIIJZKSAWOL-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.76
Rot. Bonds3

About 4-methoxy-1-methylidene-2-prop-2-ynoxycyclohexane

4-methoxy-1-methylidene-2-prop-2-ynoxycyclohexane (PubChem CID 123581621) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methoxy-1-methylidene-2-prop-2-ynoxycyclohexane.

Molecular Properties

Compound Name4-methoxy-1-methylidene-2-prop-2-ynoxycyclohexane
PubChem CID123581621
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-methoxy-1-methylidene-2-prop-2-ynoxycyclohexane
SMILESC#CCOC1CC(OC)CCC1=C
InChIInChI=1S/C11H16O2/c1-4-7-13-11-8-10(12-3)6-5-9(11)2/h1,10-11H,2,5-8H2,3H3
InChIKeyBZACIIJZKSAWOL-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylidene-2-prop-2-ynoxycyclohexane?
The IUPAC name of 4-methoxy-1-methylidene-2-prop-2-ynoxycyclohexane (CID 123581621) is 4-methoxy-1-methylidene-2-prop-2-ynoxycyclohexane.
What is the SMILES notation for 4-methoxy-1-methylidene-2-prop-2-ynoxycyclohexane?
The canonical SMILES for 4-methoxy-1-methylidene-2-prop-2-ynoxycyclohexane is C#CCOC1CC(OC)CCC1=C.
What is the InChIKey of 4-methoxy-1-methylidene-2-prop-2-ynoxycyclohexane?
The InChIKey is BZACIIJZKSAWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-7-13-11-8-10(12-3)6-5-9(11)2/h1,10-11H,2,5-8H2,3H3.
What are the key properties of 4-methoxy-1-methylidene-2-prop-2-ynoxycyclohexane?
4-methoxy-1-methylidene-2-prop-2-ynoxycyclohexane has a molecular weight of 180.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylidene-2-prop-2-ynoxycyclohexane is sourced from PubChem (CID 123581621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).