1-(2-methoxyethoxy)-3-methylidenecyclohexane

C10H18O2 — CID 90950095

IUPAC1-(2-methoxyethoxy)-3-methylidenecyclohexane
SMILESC=C1CCCC(OCCOC)C1
InChIInChI=1S/C10H18O2/c1-9-4-3-5-10(8-9)12-7-6-11-2/h10H,1,3-8H2,2H3
InChIKeyIVXAHCLJHJOJTA-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds4

About 1-(2-methoxyethoxy)-3-methylidenecyclohexane

1-(2-methoxyethoxy)-3-methylidenecyclohexane (PubChem CID 90950095) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-methylidenecyclohexane.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-methylidenecyclohexane
PubChem CID90950095
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(2-methoxyethoxy)-3-methylidenecyclohexane
SMILESC=C1CCCC(OCCOC)C1
InChIInChI=1S/C10H18O2/c1-9-4-3-5-10(8-9)12-7-6-11-2/h10H,1,3-8H2,2H3
InChIKeyIVXAHCLJHJOJTA-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': '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-(2-methoxyethoxy)-3-methylidenecyclohexane?
The IUPAC name of 1-(2-methoxyethoxy)-3-methylidenecyclohexane (CID 90950095) is 1-(2-methoxyethoxy)-3-methylidenecyclohexane.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-methylidenecyclohexane?
The canonical SMILES for 1-(2-methoxyethoxy)-3-methylidenecyclohexane is C=C1CCCC(OCCOC)C1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-methylidenecyclohexane?
The InChIKey is IVXAHCLJHJOJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9-4-3-5-10(8-9)12-7-6-11-2/h10H,1,3-8H2,2H3.
What are the key properties of 1-(2-methoxyethoxy)-3-methylidenecyclohexane?
1-(2-methoxyethoxy)-3-methylidenecyclohexane has a molecular weight of 170.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-methylidenecyclohexane is sourced from PubChem (CID 90950095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).