2-ethoxy-4-methylpent-1-ene

C8H16O — CID 20704869

IUPAC2-ethoxy-4-methylpent-1-ene
SMILESC=C(CC(C)C)OCC
InChIInChI=1S/C8H16O/c1-5-9-8(4)6-7(2)3/h7H,4-6H2,1-3H3
InChIKeyDZIWIOHJGWVLRW-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.58
Rot. Bonds4

About 2-ethoxy-4-methylpent-1-ene

2-ethoxy-4-methylpent-1-ene (PubChem CID 20704869) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2-ethoxy-4-methylpent-1-ene.

Molecular Properties

Compound Name2-ethoxy-4-methylpent-1-ene
PubChem CID20704869
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2-ethoxy-4-methylpent-1-ene
SMILESC=C(CC(C)C)OCC
InChIInChI=1S/C8H16O/c1-5-9-8(4)6-7(2)3/h7H,4-6H2,1-3H3
InChIKeyDZIWIOHJGWVLRW-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-4-methyl-1-pentene
CID 143008
2-Vinyloxy-4-methyl-1-pentene
CID 143810
2-Butoxybut-1-ene
CID 13211539
Ethyl 1-isopentylvinyl ether
CID 89670721
2-Isopropoxy-3-methyl-1-butene
CID 143366
2-(2,2-Difluoroethoxy)-3-methylpent-1-ene
CID 132121957
3-Fluoro-4-methyl-2-propan-2-yloxypent-1-ene
CID 163762693
3-Methyl-2-methylideneoxolane
CID 20587740
3-Ethyl-2-methoxypent-1-ene
CID 123530231
(3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene
CID 14979453
4-(Butoxymethyl)octa-1,5,6-triene
CID 134982431
2-Ethoxy-4-methyl-3-methylidenepent-1-ene
CID 135015059

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methylpent-1-ene?
The IUPAC name of 2-ethoxy-4-methylpent-1-ene (CID 20704869) is 2-ethoxy-4-methylpent-1-ene.
What is the SMILES notation for 2-ethoxy-4-methylpent-1-ene?
The canonical SMILES for 2-ethoxy-4-methylpent-1-ene is C=C(CC(C)C)OCC.
What is the InChIKey of 2-ethoxy-4-methylpent-1-ene?
The InChIKey is DZIWIOHJGWVLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-5-9-8(4)6-7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-4-methylpent-1-ene?
2-ethoxy-4-methylpent-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methylpent-1-ene is sourced from PubChem (CID 20704869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).