5-methoxy-2,3,4,4,5-pentamethylhex-2-ene

C12H24O — CID 22986753

IUPAC5-methoxy-2,3,4,4,5-pentamethylhex-2-ene
SMILESCOC(C)(C)C(C)(C)C(C)=C(C)C
InChIInChI=1S/C12H24O/c1-9(2)10(3)11(4,5)12(6,7)13-8/h1-8H3
InChIKeyYGZZBIAWEIIVCL-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.79
Rot. Bonds3

About 5-methoxy-2,3,4,4,5-pentamethylhex-2-ene

5-methoxy-2,3,4,4,5-pentamethylhex-2-ene (PubChem CID 22986753) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 5-methoxy-2,3,4,4,5-pentamethylhex-2-ene.

Molecular Properties

Compound Name5-methoxy-2,3,4,4,5-pentamethylhex-2-ene
PubChem CID22986753
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name5-methoxy-2,3,4,4,5-pentamethylhex-2-ene
SMILESCOC(C)(C)C(C)(C)C(C)=C(C)C
InChIInChI=1S/C12H24O/c1-9(2)10(3)11(4,5)12(6,7)13-8/h1-8H3
InChIKeyYGZZBIAWEIIVCL-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.79
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 5-methoxy-2,3,4,4,5-pentamethylhex-2-ene?
The IUPAC name of 5-methoxy-2,3,4,4,5-pentamethylhex-2-ene (CID 22986753) is 5-methoxy-2,3,4,4,5-pentamethylhex-2-ene.
What is the SMILES notation for 5-methoxy-2,3,4,4,5-pentamethylhex-2-ene?
The canonical SMILES for 5-methoxy-2,3,4,4,5-pentamethylhex-2-ene is COC(C)(C)C(C)(C)C(C)=C(C)C.
What is the InChIKey of 5-methoxy-2,3,4,4,5-pentamethylhex-2-ene?
The InChIKey is YGZZBIAWEIIVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-9(2)10(3)11(4,5)12(6,7)13-8/h1-8H3.
What are the key properties of 5-methoxy-2,3,4,4,5-pentamethylhex-2-ene?
5-methoxy-2,3,4,4,5-pentamethylhex-2-ene has a molecular weight of 184.32 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3,4,4,5-pentamethylhex-2-ene is sourced from PubChem (CID 22986753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).