2-[(E)-1-ethoxybut-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane

C16H30O2 — CID 70190228

IUPAC2-[(E)-1-ethoxybut-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane
SMILESCC/C=C(\OCC)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H30O2/c1-6-8-16(17-7-2)18-15-11-13(5)9-10-14(15)12(3)4/h8,12-15H,6-7,9-11H2,1-5H3/b16-8+
InChIKeyHADSYJTZLBRMTJ-LZYBPNLTSA-N
MW254.41 g/mol
LogP4.75
Rot. Bonds6

About 2-[(E)-1-ethoxybut-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane

2-[(E)-1-ethoxybut-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 70190228) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-[(E)-1-ethoxybut-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-[(E)-1-ethoxybut-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane
PubChem CID70190228
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-[(E)-1-ethoxybut-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane
SMILESCC/C=C(\OCC)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H30O2/c1-6-8-16(17-7-2)18-15-11-13(5)9-10-14(15)12(3)4/h8,12-15H,6-7,9-11H2,1-5H3/b16-8+
InChIKeyHADSYJTZLBRMTJ-LZYBPNLTSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-ethoxybut-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-[(E)-1-ethoxybut-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane (CID 70190228) is 2-[(E)-1-ethoxybut-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-[(E)-1-ethoxybut-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-[(E)-1-ethoxybut-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane is CC/C=C(\OCC)OC1CC(C)CCC1C(C)C.
What is the InChIKey of 2-[(E)-1-ethoxybut-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is HADSYJTZLBRMTJ-LZYBPNLTSA-N. The full InChI is InChI=1S/C16H30O2/c1-6-8-16(17-7-2)18-15-11-13(5)9-10-14(15)12(3)4/h8,12-15H,6-7,9-11H2,1-5H3/b16-8+.
What are the key properties of 2-[(E)-1-ethoxybut-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane?
2-[(E)-1-ethoxybut-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 254.41 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-ethoxybut-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 70190228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).