2,2-dimethoxyethylcyclohexane

C10H20O2 — CID 11052116

IUPAC2,2-dimethoxyethylcyclohexane
SMILESCOC(CC1CCCCC1)OC
InChIInChI=1S/C10H20O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3
InChIKeyZZDCDSHDKBKRRP-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.58
Rot. Bonds4

About 2,2-dimethoxyethylcyclohexane

2,2-dimethoxyethylcyclohexane (PubChem CID 11052116) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,2-dimethoxyethylcyclohexane.

Molecular Properties

Compound Name2,2-dimethoxyethylcyclohexane
PubChem CID11052116
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,2-dimethoxyethylcyclohexane
SMILESCOC(CC1CCCCC1)OC
InChIInChI=1S/C10H20O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3
InChIKeyZZDCDSHDKBKRRP-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethylcyclohexane?
The IUPAC name of 2,2-dimethoxyethylcyclohexane (CID 11052116) is 2,2-dimethoxyethylcyclohexane.
What is the SMILES notation for 2,2-dimethoxyethylcyclohexane?
The canonical SMILES for 2,2-dimethoxyethylcyclohexane is COC(CC1CCCCC1)OC.
What is the InChIKey of 2,2-dimethoxyethylcyclohexane?
The InChIKey is ZZDCDSHDKBKRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethoxyethylcyclohexane?
2,2-dimethoxyethylcyclohexane has a molecular weight of 172.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethylcyclohexane is sourced from PubChem (CID 11052116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).