7-methoxy-2,6,6-trimethyloct-2-ene

C12H24O — CID 89306696

IUPAC7-methoxy-2,6,6-trimethyloct-2-ene
SMILESCOC(C)C(C)(C)CCC=C(C)C
InChIInChI=1S/C12H24O/c1-10(2)8-7-9-12(4,5)11(3)13-6/h8,11H,7,9H2,1-6H3
InChIKeyKPSRGRWJWHCTCD-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.79
Rot. Bonds5

About 7-methoxy-2,6,6-trimethyloct-2-ene

7-methoxy-2,6,6-trimethyloct-2-ene (PubChem CID 89306696) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 7-methoxy-2,6,6-trimethyloct-2-ene.

Molecular Properties

Compound Name7-methoxy-2,6,6-trimethyloct-2-ene
PubChem CID89306696
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name7-methoxy-2,6,6-trimethyloct-2-ene
SMILESCOC(C)C(C)(C)CCC=C(C)C
InChIInChI=1S/C12H24O/c1-10(2)8-7-9-12(4,5)11(3)13-6/h8,11H,7,9H2,1-6H3
InChIKeyKPSRGRWJWHCTCD-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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'}

Analyze 7-methoxy-2,6,6-trimethyloct-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

Related Compounds

(2R)-3,3,7-trimethyloct-6-en-2-ol
CID 89306625
2,6,6-trimethyl-7-nitrosooct-2-ene
CID 123195105
6-methoxy-2,6-dimethylhept-2-ene
CID 14793993
6-ethyl-2,6,7-trimethylnon-2-ene
CID 123408225
6-isocyano-2,6,7-trimethyloct-2-ene
CID 123535412
1-methoxy-3,7-dimethylocta-1,6-dien-3-ol
CID 154089045
(6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene
CID 90239470
4-ethenyl-4,8-dimethylnon-7-en-2-ol
CID 10397794
(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
CID 5352435
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
CID 12009845
(2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol
CID 10976249

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,6,6-trimethyloct-2-ene?
The IUPAC name of 7-methoxy-2,6,6-trimethyloct-2-ene (CID 89306696) is 7-methoxy-2,6,6-trimethyloct-2-ene.
What is the SMILES notation for 7-methoxy-2,6,6-trimethyloct-2-ene?
The canonical SMILES for 7-methoxy-2,6,6-trimethyloct-2-ene is COC(C)C(C)(C)CCC=C(C)C.
What is the InChIKey of 7-methoxy-2,6,6-trimethyloct-2-ene?
The InChIKey is KPSRGRWJWHCTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-10(2)8-7-9-12(4,5)11(3)13-6/h8,11H,7,9H2,1-6H3.
What are the key properties of 7-methoxy-2,6,6-trimethyloct-2-ene?
7-methoxy-2,6,6-trimethyloct-2-ene has a molecular weight of 184.32 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,6,6-trimethyloct-2-ene is sourced from PubChem (CID 89306696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).