4,5-dimethoxy-4,5-dimethylhex-1-ene

C10H20O2 — CID 19985392

IUPAC4,5-dimethoxy-4,5-dimethylhex-1-ene
SMILESC=CCC(C)(OC)C(C)(C)OC
InChIInChI=1S/C10H20O2/c1-7-8-10(4,12-6)9(2,3)11-5/h7H,1,8H2,2-6H3
InChIKeyTXDIYNWAVVNSGV-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.39
Rot. Bonds5

About 4,5-dimethoxy-4,5-dimethylhex-1-ene

4,5-dimethoxy-4,5-dimethylhex-1-ene (PubChem CID 19985392) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4,5-dimethoxy-4,5-dimethylhex-1-ene.

Molecular Properties

Compound Name4,5-dimethoxy-4,5-dimethylhex-1-ene
PubChem CID19985392
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4,5-dimethoxy-4,5-dimethylhex-1-ene
SMILESC=CCC(C)(OC)C(C)(C)OC
InChIInChI=1S/C10H20O2/c1-7-8-10(4,12-6)9(2,3)11-5/h7H,1,8H2,2-6H3
InChIKeyTXDIYNWAVVNSGV-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4,5-dimethoxy-4,5-dimethylhex-1-ene?
The IUPAC name of 4,5-dimethoxy-4,5-dimethylhex-1-ene (CID 19985392) is 4,5-dimethoxy-4,5-dimethylhex-1-ene.
What is the SMILES notation for 4,5-dimethoxy-4,5-dimethylhex-1-ene?
The canonical SMILES for 4,5-dimethoxy-4,5-dimethylhex-1-ene is C=CCC(C)(OC)C(C)(C)OC.
What is the InChIKey of 4,5-dimethoxy-4,5-dimethylhex-1-ene?
The InChIKey is TXDIYNWAVVNSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-7-8-10(4,12-6)9(2,3)11-5/h7H,1,8H2,2-6H3.
What are the key properties of 4,5-dimethoxy-4,5-dimethylhex-1-ene?
4,5-dimethoxy-4,5-dimethylhex-1-ene has a molecular weight of 172.27 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-4,5-dimethylhex-1-ene is sourced from PubChem (CID 19985392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).