2-ethoxy-3,3-dimethylpent-1-ene

C9H18O — CID 87159466

IUPAC2-ethoxy-3,3-dimethylpent-1-ene
SMILESC=C(OCC)C(C)(C)CC
InChIInChI=1S/C9H18O/c1-6-9(4,5)8(3)10-7-2/h3,6-7H2,1-2,4-5H3
InChIKeyYIGQUXCNGQFTLL-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.97
Rot. Bonds4

About 2-ethoxy-3,3-dimethylpent-1-ene

2-ethoxy-3,3-dimethylpent-1-ene (PubChem CID 87159466) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethylpent-1-ene.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethylpent-1-ene
PubChem CID87159466
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-ethoxy-3,3-dimethylpent-1-ene
SMILESC=C(OCC)C(C)(C)CC
InChIInChI=1S/C9H18O/c1-6-9(4,5)8(3)10-7-2/h3,6-7H2,1-2,4-5H3
InChIKeyYIGQUXCNGQFTLL-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethylpent-1-ene?
The IUPAC name of 2-ethoxy-3,3-dimethylpent-1-ene (CID 87159466) is 2-ethoxy-3,3-dimethylpent-1-ene.
What is the SMILES notation for 2-ethoxy-3,3-dimethylpent-1-ene?
The canonical SMILES for 2-ethoxy-3,3-dimethylpent-1-ene is C=C(OCC)C(C)(C)CC.
What is the InChIKey of 2-ethoxy-3,3-dimethylpent-1-ene?
The InChIKey is YIGQUXCNGQFTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-6-9(4,5)8(3)10-7-2/h3,6-7H2,1-2,4-5H3.
What are the key properties of 2-ethoxy-3,3-dimethylpent-1-ene?
2-ethoxy-3,3-dimethylpent-1-ene has a molecular weight of 142.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethylpent-1-ene is sourced from PubChem (CID 87159466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).