6,6-dimethoxy-2-methylhept-2-enal

C10H18O3 — CID 131709912

IUPAC6,6-dimethoxy-2-methylhept-2-enal
SMILESCOC(C)(CCC=C(C)C=O)OC
InChIInChI=1S/C10H18O3/c1-9(8-11)6-5-7-10(2,12-3)13-4/h6,8H,5,7H2,1-4H3
InChIKeyGIOUDAIGQWFYLT-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds6

About 6,6-dimethoxy-2-methylhept-2-enal

6,6-dimethoxy-2-methylhept-2-enal (PubChem CID 131709912) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6,6-dimethoxy-2-methylhept-2-enal.

Molecular Properties

Compound Name6,6-dimethoxy-2-methylhept-2-enal
PubChem CID131709912
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name6,6-dimethoxy-2-methylhept-2-enal
SMILESCOC(C)(CCC=C(C)C=O)OC
InChIInChI=1S/C10H18O3/c1-9(8-11)6-5-7-10(2,12-3)13-4/h6,8H,5,7H2,1-4H3
InChIKeyGIOUDAIGQWFYLT-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6,6-dimethoxy-2-methylhept-2-enal 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

Isogyorinidal
CID 6443189
(2E,6E,9E)-3,7-Dimethyl-8,11-dioxo-2,6,9-dodecatrienal
CID 6443774
3,7-Dimethyl-8,11-dioxo-2,6,9-dodecatrienal
CID 187885
(E)-5-(2-methoxypropan-2-yloxy)-3-methylpent-2-enal
CID 10932159
[(E)-6-methyl-7-oxohept-5-enyl] acetate
CID 11217639
[(Z)-6-methyl-7-oxohept-5-enyl] acetate
CID 101049474
(E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal
CID 10943137
Methyl 4,8-dimethyl-9-oxonona-3,7-dienoate
CID 56609469
2-Methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enal
CID 71414103
(E)-5-methoxy-2-methylhept-2-enal
CID 87291020
(E)-5-methoxy-2-methyloct-2-enal
CID 87291028
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethoxy-2-methylhept-2-enal?
The IUPAC name of 6,6-dimethoxy-2-methylhept-2-enal (CID 131709912) is 6,6-dimethoxy-2-methylhept-2-enal.
What is the SMILES notation for 6,6-dimethoxy-2-methylhept-2-enal?
The canonical SMILES for 6,6-dimethoxy-2-methylhept-2-enal is COC(C)(CCC=C(C)C=O)OC.
What is the InChIKey of 6,6-dimethoxy-2-methylhept-2-enal?
The InChIKey is GIOUDAIGQWFYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(8-11)6-5-7-10(2,12-3)13-4/h6,8H,5,7H2,1-4H3.
What are the key properties of 6,6-dimethoxy-2-methylhept-2-enal?
6,6-dimethoxy-2-methylhept-2-enal has a molecular weight of 186.25 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethoxy-2-methylhept-2-enal is sourced from PubChem (CID 131709912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).