1-(1,2-dimethoxyethyl)-1,3,3,5-tetramethylcyclohexane

C14H28O2 — CID 20692066

IUPAC1-(1,2-dimethoxyethyl)-1,3,3,5-tetramethylcyclohexane
SMILESCOCC(OC)C1(C)CC(C)CC(C)(C)C1
InChIInChI=1S/C14H28O2/c1-11-7-13(2,3)10-14(4,8-11)12(16-6)9-15-5/h11-12H,7-10H2,1-6H3
InChIKeyJUVJEUMGYLQPRY-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.50
Rot. Bonds4

About 1-(1,2-dimethoxyethyl)-1,3,3,5-tetramethylcyclohexane

1-(1,2-dimethoxyethyl)-1,3,3,5-tetramethylcyclohexane (PubChem CID 20692066) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(1,2-dimethoxyethyl)-1,3,3,5-tetramethylcyclohexane.

Molecular Properties

Compound Name1-(1,2-dimethoxyethyl)-1,3,3,5-tetramethylcyclohexane
PubChem CID20692066
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-(1,2-dimethoxyethyl)-1,3,3,5-tetramethylcyclohexane
SMILESCOCC(OC)C1(C)CC(C)CC(C)(C)C1
InChIInChI=1S/C14H28O2/c1-11-7-13(2,3)10-14(4,8-11)12(16-6)9-15-5/h11-12H,7-10H2,1-6H3
InChIKeyJUVJEUMGYLQPRY-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethoxyethyl)-1,3,3,5-tetramethylcyclohexane?
The IUPAC name of 1-(1,2-dimethoxyethyl)-1,3,3,5-tetramethylcyclohexane (CID 20692066) is 1-(1,2-dimethoxyethyl)-1,3,3,5-tetramethylcyclohexane.
What is the SMILES notation for 1-(1,2-dimethoxyethyl)-1,3,3,5-tetramethylcyclohexane?
The canonical SMILES for 1-(1,2-dimethoxyethyl)-1,3,3,5-tetramethylcyclohexane is COCC(OC)C1(C)CC(C)CC(C)(C)C1.
What is the InChIKey of 1-(1,2-dimethoxyethyl)-1,3,3,5-tetramethylcyclohexane?
The InChIKey is JUVJEUMGYLQPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11-7-13(2,3)10-14(4,8-11)12(16-6)9-15-5/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-(1,2-dimethoxyethyl)-1,3,3,5-tetramethylcyclohexane?
1-(1,2-dimethoxyethyl)-1,3,3,5-tetramethylcyclohexane has a molecular weight of 228.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethoxyethyl)-1,3,3,5-tetramethylcyclohexane is sourced from PubChem (CID 20692066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).