2-methoxy-4,4-dimethylpent-1-ene

C8H16O — CID 522194

IUPAC2-methoxy-4,4-dimethylpent-1-ene
SMILESC=C(CC(C)(C)C)OC
InChIInChI=1S/C8H16O/c1-7(9-5)6-8(2,3)4/h1,6H2,2-5H3
InChIKeyLSHQWPNTYWCQMU-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.58
Rot. Bonds2

About 2-methoxy-4,4-dimethylpent-1-ene

2-methoxy-4,4-dimethylpent-1-ene (PubChem CID 522194) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2-methoxy-4,4-dimethylpent-1-ene.

Molecular Properties

Compound Name2-methoxy-4,4-dimethylpent-1-ene
PubChem CID522194
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2-methoxy-4,4-dimethylpent-1-ene
SMILESC=C(CC(C)(C)C)OC
InChIInChI=1S/C8H16O/c1-7(9-5)6-8(2,3)4/h1,6H2,2-5H3
InChIKeyLSHQWPNTYWCQMU-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,4-dimethylpent-1-ene?
The IUPAC name of 2-methoxy-4,4-dimethylpent-1-ene (CID 522194) is 2-methoxy-4,4-dimethylpent-1-ene.
What is the SMILES notation for 2-methoxy-4,4-dimethylpent-1-ene?
The canonical SMILES for 2-methoxy-4,4-dimethylpent-1-ene is C=C(CC(C)(C)C)OC.
What is the InChIKey of 2-methoxy-4,4-dimethylpent-1-ene?
The InChIKey is LSHQWPNTYWCQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-7(9-5)6-8(2,3)4/h1,6H2,2-5H3.
What are the key properties of 2-methoxy-4,4-dimethylpent-1-ene?
2-methoxy-4,4-dimethylpent-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,4-dimethylpent-1-ene is sourced from PubChem (CID 522194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).