1-ethoxy-1-[2-(2-methylprop-1-enoxy)ethyl]cyclobutane

C12H22O2 — CID 150841664

IUPAC1-ethoxy-1-[2-(2-methylprop-1-enoxy)ethyl]cyclobutane
SMILESCCOC1(CCOC=C(C)C)CCC1
InChIInChI=1S/C12H22O2/c1-4-14-12(6-5-7-12)8-9-13-10-11(2)3/h10H,4-9H2,1-3H3
InChIKeyKOCPHDQXKSVLQR-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds6

About 1-ethoxy-1-[2-(2-methylprop-1-enoxy)ethyl]cyclobutane

1-ethoxy-1-[2-(2-methylprop-1-enoxy)ethyl]cyclobutane (PubChem CID 150841664) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-ethoxy-1-[2-(2-methylprop-1-enoxy)ethyl]cyclobutane.

Molecular Properties

Compound Name1-ethoxy-1-[2-(2-methylprop-1-enoxy)ethyl]cyclobutane
PubChem CID150841664
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-ethoxy-1-[2-(2-methylprop-1-enoxy)ethyl]cyclobutane
SMILESCCOC1(CCOC=C(C)C)CCC1
InChIInChI=1S/C12H22O2/c1-4-14-12(6-5-7-12)8-9-13-10-11(2)3/h10H,4-9H2,1-3H3
InChIKeyKOCPHDQXKSVLQR-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150076792
1-Ethoxy-1-(2-prop-1-enoxyethyl)cyclobutane
CID 150218499
2-Ethyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151447757
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxolane
CID 176604411

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-[2-(2-methylprop-1-enoxy)ethyl]cyclobutane?
The IUPAC name of 1-ethoxy-1-[2-(2-methylprop-1-enoxy)ethyl]cyclobutane (CID 150841664) is 1-ethoxy-1-[2-(2-methylprop-1-enoxy)ethyl]cyclobutane.
What is the SMILES notation for 1-ethoxy-1-[2-(2-methylprop-1-enoxy)ethyl]cyclobutane?
The canonical SMILES for 1-ethoxy-1-[2-(2-methylprop-1-enoxy)ethyl]cyclobutane is CCOC1(CCOC=C(C)C)CCC1.
What is the InChIKey of 1-ethoxy-1-[2-(2-methylprop-1-enoxy)ethyl]cyclobutane?
The InChIKey is KOCPHDQXKSVLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-14-12(6-5-7-12)8-9-13-10-11(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 1-ethoxy-1-[2-(2-methylprop-1-enoxy)ethyl]cyclobutane?
1-ethoxy-1-[2-(2-methylprop-1-enoxy)ethyl]cyclobutane has a molecular weight of 198.31 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-[2-(2-methylprop-1-enoxy)ethyl]cyclobutane is sourced from PubChem (CID 150841664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).