1-(2-methoxyethoxy)-4-methylidenecyclohexane

C10H18O2 — CID 58902720

IUPAC1-(2-methoxyethoxy)-4-methylidenecyclohexane
SMILESC=C1CCC(OCCOC)CC1
InChIInChI=1S/C10H18O2/c1-9-3-5-10(6-4-9)12-8-7-11-2/h10H,1,3-8H2,2H3
InChIKeyPSLFKOCKXFJBQK-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds4

About 1-(2-methoxyethoxy)-4-methylidenecyclohexane

1-(2-methoxyethoxy)-4-methylidenecyclohexane (PubChem CID 58902720) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-4-methylidenecyclohexane
PubChem CID58902720
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(2-methoxyethoxy)-4-methylidenecyclohexane
SMILESC=C1CCC(OCCOC)CC1
InChIInChI=1S/C10H18O2/c1-9-3-5-10(6-4-9)12-8-7-11-2/h10H,1,3-8H2,2H3
InChIKeyPSLFKOCKXFJBQK-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)-4-methylidenecyclohexane?
The IUPAC name of 1-(2-methoxyethoxy)-4-methylidenecyclohexane (CID 58902720) is 1-(2-methoxyethoxy)-4-methylidenecyclohexane.
What is the SMILES notation for 1-(2-methoxyethoxy)-4-methylidenecyclohexane?
The canonical SMILES for 1-(2-methoxyethoxy)-4-methylidenecyclohexane is C=C1CCC(OCCOC)CC1.
What is the InChIKey of 1-(2-methoxyethoxy)-4-methylidenecyclohexane?
The InChIKey is PSLFKOCKXFJBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9-3-5-10(6-4-9)12-8-7-11-2/h10H,1,3-8H2,2H3.
What are the key properties of 1-(2-methoxyethoxy)-4-methylidenecyclohexane?
1-(2-methoxyethoxy)-4-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)-4-methylidenecyclohexane is sourced from PubChem (CID 58902720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).