methyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate

C11H21NO2 — CID 58307953

IUPACmethyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate
SMILESC=CCCC[C@](C)(C(=O)OC)N(C)C
InChIInChI=1S/C11H21NO2/c1-6-7-8-9-11(2,12(3)4)10(13)14-5/h6H,1,7-9H2,2-5H3/t11-/m1/s1
InChIKeyLDMMOZBCKDQYAY-LLVKDONJSA-N
MW199.29 g/mol
LogP1.84
Rot. Bonds6

About methyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate

methyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate (PubChem CID 58307953) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate
PubChem CID58307953
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate
SMILESC=CCCC[C@](C)(C(=O)OC)N(C)C
InChIInChI=1S/C11H21NO2/c1-6-7-8-9-11(2,12(3)4)10(13)14-5/h6H,1,7-9H2,2-5H3/t11-/m1/s1
InChIKeyLDMMOZBCKDQYAY-LLVKDONJSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate?
The IUPAC name of methyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate (CID 58307953) is methyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate.
What is the SMILES notation for methyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate?
The canonical SMILES for methyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate is C=CCCC[C@](C)(C(=O)OC)N(C)C.
What is the InChIKey of methyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate?
The InChIKey is LDMMOZBCKDQYAY-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-7-8-9-11(2,12(3)4)10(13)14-5/h6H,1,7-9H2,2-5H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate?
methyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate has a molecular weight of 199.29 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(dimethylamino)-2-methylhept-6-enoate is sourced from PubChem (CID 58307953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).