4-ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene

C14H28O2 — CID 166954190

IUPAC4-ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene
SMILESC=C(COC(C)C)C(C)(C)C(C)(C)OCC
InChIInChI=1S/C14H28O2/c1-9-16-14(7,8)13(5,6)12(4)10-15-11(2)3/h11H,4,9-10H2,1-3,5-8H3
InChIKeyBCBFZWKKAGTLTG-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.81
Rot. Bonds7

About 4-ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene

4-ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene (PubChem CID 166954190) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene.

Molecular Properties

Compound Name4-ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene
PubChem CID166954190
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name4-ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene
SMILESC=C(COC(C)C)C(C)(C)C(C)(C)OCC
InChIInChI=1S/C14H28O2/c1-9-16-14(7,8)13(5,6)12(4)10-15-11(2)3/h11H,4,9-10H2,1-3,5-8H3
InChIKeyBCBFZWKKAGTLTG-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxy-3-(methoxymethyl)-2,2-dimethyl-4-methylidenehexane
CID 87932704
3-Methoxy-3-(2-methoxyethoxymethyl)-2,2-dimethyl-4-methylidenehexane
CID 141103503
3-(2-Methoxypropan-2-yl)-4-methylideneoxolane
CID 15483045
trans-(1S,2S)-2-ethoxy-1-methoxy-3-methyl-1,3-di((113C)methyl)-4-(113C)methylidenecyclobutane
CID 49840807
4-(2-Methoxypropan-2-yl)-2-methyl-3-methylideneoxolane
CID 102462466

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene?
The IUPAC name of 4-ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene (CID 166954190) is 4-ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene.
What is the SMILES notation for 4-ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene?
The canonical SMILES for 4-ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene is C=C(COC(C)C)C(C)(C)C(C)(C)OCC.
What is the InChIKey of 4-ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene?
The InChIKey is BCBFZWKKAGTLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-9-16-14(7,8)13(5,6)12(4)10-15-11(2)3/h11H,4,9-10H2,1-3,5-8H3.
What are the key properties of 4-ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene?
4-ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene has a molecular weight of 228.38 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene is sourced from PubChem (CID 166954190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).