7-methoxy-2,7-dimethyloct-2-ene

C11H22O — CID 12641401

IUPAC7-methoxy-2,7-dimethyloct-2-ene
SMILESCOC(C)(C)CCCC=C(C)C
InChIInChI=1S/C11H22O/c1-10(2)8-6-7-9-11(3,4)12-5/h8H,6-7,9H2,1-5H3
InChIKeyQZZYRICKRRMTLR-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.55
Rot. Bonds5

About 7-methoxy-2,7-dimethyloct-2-ene

7-methoxy-2,7-dimethyloct-2-ene (PubChem CID 12641401) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 7-methoxy-2,7-dimethyloct-2-ene.

Molecular Properties

Compound Name7-methoxy-2,7-dimethyloct-2-ene
PubChem CID12641401
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name7-methoxy-2,7-dimethyloct-2-ene
SMILESCOC(C)(C)CCCC=C(C)C
InChIInChI=1S/C11H22O/c1-10(2)8-6-7-9-11(3,4)12-5/h8H,6-7,9H2,1-5H3
InChIKeyQZZYRICKRRMTLR-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-methoxy-2,7-dimethyloct-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,7-dimethyloct-2-ene?
The IUPAC name of 7-methoxy-2,7-dimethyloct-2-ene (CID 12641401) is 7-methoxy-2,7-dimethyloct-2-ene.
What is the SMILES notation for 7-methoxy-2,7-dimethyloct-2-ene?
The canonical SMILES for 7-methoxy-2,7-dimethyloct-2-ene is COC(C)(C)CCCC=C(C)C.
What is the InChIKey of 7-methoxy-2,7-dimethyloct-2-ene?
The InChIKey is QZZYRICKRRMTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-10(2)8-6-7-9-11(3,4)12-5/h8H,6-7,9H2,1-5H3.
What are the key properties of 7-methoxy-2,7-dimethyloct-2-ene?
7-methoxy-2,7-dimethyloct-2-ene has a molecular weight of 170.30 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,7-dimethyloct-2-ene is sourced from PubChem (CID 12641401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).