1-ethoxy-3-methoxy-2-methylidenecyclohexane

C10H18O2 — CID 91554838

IUPAC1-ethoxy-3-methoxy-2-methylidenecyclohexane
SMILESC=C1C(OC)CCCC1OCC
InChIInChI=1S/C10H18O2/c1-4-12-10-7-5-6-9(11-3)8(10)2/h9-10H,2,4-7H2,1,3H3
InChIKeyPQUJXGUIXLRYRU-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds3

About 1-ethoxy-3-methoxy-2-methylidenecyclohexane

1-ethoxy-3-methoxy-2-methylidenecyclohexane (PubChem CID 91554838) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-ethoxy-3-methoxy-2-methylidenecyclohexane.

Molecular Properties

Compound Name1-ethoxy-3-methoxy-2-methylidenecyclohexane
PubChem CID91554838
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-ethoxy-3-methoxy-2-methylidenecyclohexane
SMILESC=C1C(OC)CCCC1OCC
InChIInChI=1S/C10H18O2/c1-4-12-10-7-5-6-9(11-3)8(10)2/h9-10H,2,4-7H2,1,3H3
InChIKeyPQUJXGUIXLRYRU-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethoxy-3-methoxy-2-methylidenecyclohexane?
The IUPAC name of 1-ethoxy-3-methoxy-2-methylidenecyclohexane (CID 91554838) is 1-ethoxy-3-methoxy-2-methylidenecyclohexane.
What is the SMILES notation for 1-ethoxy-3-methoxy-2-methylidenecyclohexane?
The canonical SMILES for 1-ethoxy-3-methoxy-2-methylidenecyclohexane is C=C1C(OC)CCCC1OCC.
What is the InChIKey of 1-ethoxy-3-methoxy-2-methylidenecyclohexane?
The InChIKey is PQUJXGUIXLRYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-12-10-7-5-6-9(11-3)8(10)2/h9-10H,2,4-7H2,1,3H3.
What are the key properties of 1-ethoxy-3-methoxy-2-methylidenecyclohexane?
1-ethoxy-3-methoxy-2-methylidenecyclohexane has a molecular weight of 170.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methoxy-2-methylidenecyclohexane is sourced from PubChem (CID 91554838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).