4,4-dideuterio-5-methoxy-5-methylhex-1-ene

C8H16O — CID 89211905

IUPAC4,4-dideuterio-5-methoxy-5-methylhex-1-ene
SMILES[2H]C([2H])(CC=C)C(C)(C)OC
InChIInChI=1S/C8H16O/c1-5-6-7-8(2,3)9-4/h5H,1,6-7H2,2-4H3/i7D2
InChIKeyLAEOBLXRZWPGAG-RJSZUWSASA-N
MW130.23 g/mol
LogP2.38
Rot. Bonds4

About 4,4-dideuterio-5-methoxy-5-methylhex-1-ene

4,4-dideuterio-5-methoxy-5-methylhex-1-ene (PubChem CID 89211905) has the molecular formula C8H16O and a molecular weight of 130.23 g/mol. Its IUPAC name is 4,4-dideuterio-5-methoxy-5-methylhex-1-ene.

Molecular Properties

Compound Name4,4-dideuterio-5-methoxy-5-methylhex-1-ene
PubChem CID89211905
Molecular FormulaC8H16O
Molecular Weight130.23 g/mol
Exact Mass130.13
IUPAC Name4,4-dideuterio-5-methoxy-5-methylhex-1-ene
SMILES[2H]C([2H])(CC=C)C(C)(C)OC
InChIInChI=1S/C8H16O/c1-5-6-7-8(2,3)9-4/h5H,1,6-7H2,2-4H3/i7D2
InChIKeyLAEOBLXRZWPGAG-RJSZUWSASA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.38
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 4,4-dideuterio-5-methoxy-5-methylhex-1-ene?
The IUPAC name of 4,4-dideuterio-5-methoxy-5-methylhex-1-ene (CID 89211905) is 4,4-dideuterio-5-methoxy-5-methylhex-1-ene.
What is the SMILES notation for 4,4-dideuterio-5-methoxy-5-methylhex-1-ene?
The canonical SMILES for 4,4-dideuterio-5-methoxy-5-methylhex-1-ene is [2H]C([2H])(CC=C)C(C)(C)OC.
What is the InChIKey of 4,4-dideuterio-5-methoxy-5-methylhex-1-ene?
The InChIKey is LAEOBLXRZWPGAG-RJSZUWSASA-N. The full InChI is InChI=1S/C8H16O/c1-5-6-7-8(2,3)9-4/h5H,1,6-7H2,2-4H3/i7D2.
What are the key properties of 4,4-dideuterio-5-methoxy-5-methylhex-1-ene?
4,4-dideuterio-5-methoxy-5-methylhex-1-ene has a molecular weight of 130.23 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dideuterio-5-methoxy-5-methylhex-1-ene is sourced from PubChem (CID 89211905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).