1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane

C13H26O — CID 18974564

IUPAC1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
SMILESCCOC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C13H26O/c1-5-13(3,4)11-7-9-12(10-8-11)14-6-2/h11-12H,5-10H2,1-4H3
InChIKeyKDPSHFVSTJYAJQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.02
Rot. Bonds4

About 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane

1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane (PubChem CID 18974564) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
PubChem CID18974564
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
SMILESCCOC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C13H26O/c1-5-13(3,4)11-7-9-12(10-8-11)14-6-2/h11-12H,5-10H2,1-4H3
InChIKeyKDPSHFVSTJYAJQ-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane?
The IUPAC name of 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane (CID 18974564) is 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane.
What is the SMILES notation for 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane?
The canonical SMILES for 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane is CCOC1CCC(C(C)(C)CC)CC1.
What is the InChIKey of 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane?
The InChIKey is KDPSHFVSTJYAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-13(3,4)11-7-9-12(10-8-11)14-6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane?
1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane has a molecular weight of 198.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane is sourced from PubChem (CID 18974564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).