1-(2-methoxyethoxy)-4-methylcyclohexane;propane

C13H28O2 — CID 156885799

IUPAC1-(2-methoxyethoxy)-4-methylcyclohexane;propane
SMILESCCC.COCCOC1CCC(C)CC1
InChIInChI=1S/C10H20O2.C3H8/c1-9-3-5-10(6-4-9)12-8-7-11-2;1-3-2/h9-10H,3-8H2,1-2H3;3H2,1-2H3
InChIKeyVJTFMMFHZQDKOA-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.64
Rot. Bonds4

About 1-(2-methoxyethoxy)-4-methylcyclohexane;propane

1-(2-methoxyethoxy)-4-methylcyclohexane;propane (PubChem CID 156885799) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-4-methylcyclohexane;propane.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-4-methylcyclohexane;propane
PubChem CID156885799
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name1-(2-methoxyethoxy)-4-methylcyclohexane;propane
SMILESCCC.COCCOC1CCC(C)CC1
InChIInChI=1S/C10H20O2.C3H8/c1-9-3-5-10(6-4-9)12-8-7-11-2;1-3-2/h9-10H,3-8H2,1-2H3;3H2,1-2H3
InChIKeyVJTFMMFHZQDKOA-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylhexyl glycidyl ether
CID 17162
1-Methoxy-4-methylcyclohexane
CID 6336264
1,2-Dimethoxyethylcyclohexane
CID 23183239
2,3,8-Trimethyl-1,4-dioxaspiro[4.5]decane
CID 221908
2-Ethylenedioxy-5-methylheptane
CID 129811787
2-[(Cyclohexylmethoxy)methyl]oxirane
CID 11435189
1-Methyl-4-(4-methylcyclohexyl)oxycyclohexane
CID 23565647
1-Methoxy-4-methyl-d3-benzene
CID 139701
1-(2-Fluoroethyl)-4-pentoxycyclohexane
CID 18343980
1-(2-Fluoroethyl)-4-propoxycyclohexane
CID 18343982
1-Ethoxy-4-(2-fluoroethyl)cyclohexane
CID 18344106
2,3-Difluoro-1-methyl-4-pentoxycyclohexane
CID 71099915

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-4-methylcyclohexane;propane?
The IUPAC name of 1-(2-methoxyethoxy)-4-methylcyclohexane;propane (CID 156885799) is 1-(2-methoxyethoxy)-4-methylcyclohexane;propane.
What is the SMILES notation for 1-(2-methoxyethoxy)-4-methylcyclohexane;propane?
The canonical SMILES for 1-(2-methoxyethoxy)-4-methylcyclohexane;propane is CCC.COCCOC1CCC(C)CC1.
What is the InChIKey of 1-(2-methoxyethoxy)-4-methylcyclohexane;propane?
The InChIKey is VJTFMMFHZQDKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C3H8/c1-9-3-5-10(6-4-9)12-8-7-11-2;1-3-2/h9-10H,3-8H2,1-2H3;3H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-4-methylcyclohexane;propane?
1-(2-methoxyethoxy)-4-methylcyclohexane;propane has a molecular weight of 216.36 g/mol, XLogP of 3.64, 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-methylcyclohexane;propane is sourced from PubChem (CID 156885799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).