(E)-1-ethenoxy-4,4-dimethylpent-2-ene

C9H16O — CID 10975579

IUPAC(E)-1-ethenoxy-4,4-dimethylpent-2-ene
SMILESC=COC/C=C/C(C)(C)C
InChIInChI=1S/C9H16O/c1-5-10-8-6-7-9(2,3)4/h5-7H,1,8H2,2-4H3/b7-6+
InChIKeyBKDPMZCVFLCOSM-VOTSOKGWSA-N
MW140.23 g/mol
LogP2.75
Rot. Bonds3

About (E)-1-ethenoxy-4,4-dimethylpent-2-ene

(E)-1-ethenoxy-4,4-dimethylpent-2-ene (PubChem CID 10975579) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-1-ethenoxy-4,4-dimethylpent-2-ene.

Molecular Properties

Compound Name(E)-1-ethenoxy-4,4-dimethylpent-2-ene
PubChem CID10975579
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(E)-1-ethenoxy-4,4-dimethylpent-2-ene
SMILESC=COC/C=C/C(C)(C)C
InChIInChI=1S/C9H16O/c1-5-10-8-6-7-9(2,3)4/h5-7H,1,8H2,2-4H3/b7-6+
InChIKeyBKDPMZCVFLCOSM-VOTSOKGWSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-ethenoxy-4,4-dimethylpent-2-ene?
The IUPAC name of (E)-1-ethenoxy-4,4-dimethylpent-2-ene (CID 10975579) is (E)-1-ethenoxy-4,4-dimethylpent-2-ene.
What is the SMILES notation for (E)-1-ethenoxy-4,4-dimethylpent-2-ene?
The canonical SMILES for (E)-1-ethenoxy-4,4-dimethylpent-2-ene is C=COC/C=C/C(C)(C)C.
What is the InChIKey of (E)-1-ethenoxy-4,4-dimethylpent-2-ene?
The InChIKey is BKDPMZCVFLCOSM-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H16O/c1-5-10-8-6-7-9(2,3)4/h5-7H,1,8H2,2-4H3/b7-6+.
What are the key properties of (E)-1-ethenoxy-4,4-dimethylpent-2-ene?
(E)-1-ethenoxy-4,4-dimethylpent-2-ene has a molecular weight of 140.23 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethenoxy-4,4-dimethylpent-2-ene is sourced from PubChem (CID 10975579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).