(3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate

C15H26O3 — CID 91129325

IUPAC(3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate
SMILESCC(C)=CCCC(C)CC(=O)OCC1(C)COC1
InChIInChI=1S/C15H26O3/c1-12(2)6-5-7-13(3)8-14(16)18-11-15(4)9-17-10-15/h6,13H,5,7-11H2,1-4H3
InChIKeyGZOGEVVSGXGTKW-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.34
Rot. Bonds7

About (3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate

(3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate (PubChem CID 91129325) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate
PubChem CID91129325
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate
SMILESCC(C)=CCCC(C)CC(=O)OCC1(C)COC1
InChIInChI=1S/C15H26O3/c1-12(2)6-5-7-13(3)8-14(16)18-11-15(4)9-17-10-15/h6,13H,5,7-11H2,1-4H3
InChIKeyGZOGEVVSGXGTKW-UHFFFAOYSA-N
XLogP3.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate 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

3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
(3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate
CID 69419737
5-bromo-3-methylpentanoic acid;deuterioethyne;(3-methyloxetan-3-yl)methanol;(3-methyloxetan-3-yl)methyl 5-bromo-3-methylpentanoate
CID 158256736
bis[(3-methyloxetan-3-yl)methyl] (E)-but-2-enedioate
CID 90456001
[(3R)-3,7-dimethyloct-6-enyl] (5S)-3-hydroxy-5,9-dimethyldec-8-enoate
CID 166747683
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
N-ethyl-3,7-dimethyloct-6-enamide
CID 91172474
phenyl 3,7-dimethyloct-6-enoate
CID 142994428
5,9-dimethyldeca-1,8-dien-3-one
CID 85299318
2,5,9-trimethyldeca-1,8-dien-3-one
CID 71382341
bis(2,6-dimethylhept-5-enyl) 2,3-dihydroxybutanedioate
CID 134992148
[(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate
CID 24884268

Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate?
The IUPAC name of (3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate (CID 91129325) is (3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate.
What is the SMILES notation for (3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate?
The canonical SMILES for (3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate is CC(C)=CCCC(C)CC(=O)OCC1(C)COC1.
What is the InChIKey of (3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate?
The InChIKey is GZOGEVVSGXGTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-12(2)6-5-7-13(3)8-14(16)18-11-15(4)9-17-10-15/h6,13H,5,7-11H2,1-4H3.
What are the key properties of (3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate?
(3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate has a molecular weight of 254.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)methyl 3,7-dimethyloct-6-enoate is sourced from PubChem (CID 91129325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).