4-methoxy-2,4,5,5-tetramethylhex-1-ene

C11H22O — CID 134930792

IUPAC4-methoxy-2,4,5,5-tetramethylhex-1-ene
SMILESC=C(C)CC(C)(OC)C(C)(C)C
InChIInChI=1S/C11H22O/c1-9(2)8-11(6,12-7)10(3,4)5/h1,8H2,2-7H3
InChIKeyMLCZQOXKABKXEW-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.40
Rot. Bonds3

About 4-methoxy-2,4,5,5-tetramethylhex-1-ene

4-methoxy-2,4,5,5-tetramethylhex-1-ene (PubChem CID 134930792) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-methoxy-2,4,5,5-tetramethylhex-1-ene.

Molecular Properties

Compound Name4-methoxy-2,4,5,5-tetramethylhex-1-ene
PubChem CID134930792
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name4-methoxy-2,4,5,5-tetramethylhex-1-ene
SMILESC=C(C)CC(C)(OC)C(C)(C)C
InChIInChI=1S/C11H22O/c1-9(2)8-11(6,12-7)10(3,4)5/h1,8H2,2-7H3
InChIKeyMLCZQOXKABKXEW-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4,5,5-tetramethylhex-1-ene?
The IUPAC name of 4-methoxy-2,4,5,5-tetramethylhex-1-ene (CID 134930792) is 4-methoxy-2,4,5,5-tetramethylhex-1-ene.
What is the SMILES notation for 4-methoxy-2,4,5,5-tetramethylhex-1-ene?
The canonical SMILES for 4-methoxy-2,4,5,5-tetramethylhex-1-ene is C=C(C)CC(C)(OC)C(C)(C)C.
What is the InChIKey of 4-methoxy-2,4,5,5-tetramethylhex-1-ene?
The InChIKey is MLCZQOXKABKXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-9(2)8-11(6,12-7)10(3,4)5/h1,8H2,2-7H3.
What are the key properties of 4-methoxy-2,4,5,5-tetramethylhex-1-ene?
4-methoxy-2,4,5,5-tetramethylhex-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4,5,5-tetramethylhex-1-ene is sourced from PubChem (CID 134930792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).