2-ethoxy-4-(2-ethoxypropan-2-yl)-1-methylidenecyclohexane

C14H26O2 — CID 162686806

IUPAC2-ethoxy-4-(2-ethoxypropan-2-yl)-1-methylidenecyclohexane
SMILESC=C1CCC(C(C)(C)OCC)CC1OCC
InChIInChI=1S/C14H26O2/c1-6-15-13-10-12(9-8-11(13)3)14(4,5)16-7-2/h12-13H,3,6-10H2,1-2,4-5H3
InChIKeyIBEIWVDJLNECBB-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.56
Rot. Bonds5

About 2-ethoxy-4-(2-ethoxypropan-2-yl)-1-methylidenecyclohexane

2-ethoxy-4-(2-ethoxypropan-2-yl)-1-methylidenecyclohexane (PubChem CID 162686806) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-ethoxy-4-(2-ethoxypropan-2-yl)-1-methylidenecyclohexane.

Molecular Properties

Compound Name2-ethoxy-4-(2-ethoxypropan-2-yl)-1-methylidenecyclohexane
PubChem CID162686806
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-ethoxy-4-(2-ethoxypropan-2-yl)-1-methylidenecyclohexane
SMILESC=C1CCC(C(C)(C)OCC)CC1OCC
InChIInChI=1S/C14H26O2/c1-6-15-13-10-12(9-8-11(13)3)14(4,5)16-7-2/h12-13H,3,6-10H2,1-2,4-5H3
InChIKeyIBEIWVDJLNECBB-UHFFFAOYSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2-ethoxypropan-2-yl)-1-methylidenecyclohexane?
The IUPAC name of 2-ethoxy-4-(2-ethoxypropan-2-yl)-1-methylidenecyclohexane (CID 162686806) is 2-ethoxy-4-(2-ethoxypropan-2-yl)-1-methylidenecyclohexane.
What is the SMILES notation for 2-ethoxy-4-(2-ethoxypropan-2-yl)-1-methylidenecyclohexane?
The canonical SMILES for 2-ethoxy-4-(2-ethoxypropan-2-yl)-1-methylidenecyclohexane is C=C1CCC(C(C)(C)OCC)CC1OCC.
What is the InChIKey of 2-ethoxy-4-(2-ethoxypropan-2-yl)-1-methylidenecyclohexane?
The InChIKey is IBEIWVDJLNECBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-6-15-13-10-12(9-8-11(13)3)14(4,5)16-7-2/h12-13H,3,6-10H2,1-2,4-5H3.
What are the key properties of 2-ethoxy-4-(2-ethoxypropan-2-yl)-1-methylidenecyclohexane?
2-ethoxy-4-(2-ethoxypropan-2-yl)-1-methylidenecyclohexane has a molecular weight of 226.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2-ethoxypropan-2-yl)-1-methylidenecyclohexane is sourced from PubChem (CID 162686806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).