methyl 6-(methoxymethyl)-3-methylhept-6-enoate

C11H20O3 — CID 121223150

IUPACmethyl 6-(methoxymethyl)-3-methylhept-6-enoate
SMILESC=C(CCC(C)CC(=O)OC)COC
InChIInChI=1S/C11H20O3/c1-9(7-11(12)14-4)5-6-10(2)8-13-3/h9H,2,5-8H2,1,3-4H3
InChIKeyVBOJVRSLFAAFLU-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.17
Rot. Bonds7

About methyl 6-(methoxymethyl)-3-methylhept-6-enoate

methyl 6-(methoxymethyl)-3-methylhept-6-enoate (PubChem CID 121223150) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 6-(methoxymethyl)-3-methylhept-6-enoate.

Molecular Properties

Compound Namemethyl 6-(methoxymethyl)-3-methylhept-6-enoate
PubChem CID121223150
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl 6-(methoxymethyl)-3-methylhept-6-enoate
SMILESC=C(CCC(C)CC(=O)OC)COC
InChIInChI=1S/C11H20O3/c1-9(7-11(12)14-4)5-6-10(2)8-13-3/h9H,2,5-8H2,1,3-4H3
InChIKeyVBOJVRSLFAAFLU-UHFFFAOYSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl 2-methyl-5-methyleneadipate
CID 107295
Ethyl 4-methylidenecyclohexane-1-carboxylate
CID 15151435
Ethyl 2-cyclopentylprop-2-enoate
CID 12924368
Methyl 3-methylidenecyclohexane-1-carboxylate
CID 85855833
(3S,6S)-6-isopropenyl-3-methyloxepan-2-one
CID 443169
(3S,6R)-6-isopropenyl-3-methyloxepan-2-one
CID 443187
(3R,6S)-6-isopropenyl-3-methyloxepan-2-one
CID 25201860
6-Isopropenyl-3-methyloxepan-2-one
CID 4488497
Ethyl 2-(cyclohexylmethyl)acrylate
CID 11745574
Ethyl (2-methylidenecyclohexyl)acetate
CID 12679490
Butyl (3S)-3-methyl-7-octenoate
CID 46910864
methyl (4R,6R,8R)-4,6,8-trimethyl-2-methylideneundecanoate
CID 134854594

Frequently Asked Questions

What is the IUPAC name of methyl 6-(methoxymethyl)-3-methylhept-6-enoate?
The IUPAC name of methyl 6-(methoxymethyl)-3-methylhept-6-enoate (CID 121223150) is methyl 6-(methoxymethyl)-3-methylhept-6-enoate.
What is the SMILES notation for methyl 6-(methoxymethyl)-3-methylhept-6-enoate?
The canonical SMILES for methyl 6-(methoxymethyl)-3-methylhept-6-enoate is C=C(CCC(C)CC(=O)OC)COC.
What is the InChIKey of methyl 6-(methoxymethyl)-3-methylhept-6-enoate?
The InChIKey is VBOJVRSLFAAFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(7-11(12)14-4)5-6-10(2)8-13-3/h9H,2,5-8H2,1,3-4H3.
What are the key properties of methyl 6-(methoxymethyl)-3-methylhept-6-enoate?
methyl 6-(methoxymethyl)-3-methylhept-6-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(methoxymethyl)-3-methylhept-6-enoate is sourced from PubChem (CID 121223150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).