methyl (2R)-2-methylnon-8-enoate

C11H20O2 — CID 58289580

IUPACmethyl (2R)-2-methylnon-8-enoate
SMILESC=CCCCCC[C@@H](C)C(=O)OC
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-9-10(2)11(12)13-3/h4,10H,1,5-9H2,2-3H3/t10-/m1/s1
InChIKeyXBGRTQUFSZKHJS-SNVBAGLBSA-N
MW184.28 g/mol
LogP2.93
Rot. Bonds7

About methyl (2R)-2-methylnon-8-enoate

methyl (2R)-2-methylnon-8-enoate (PubChem CID 58289580) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is methyl (2R)-2-methylnon-8-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-methylnon-8-enoate
PubChem CID58289580
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namemethyl (2R)-2-methylnon-8-enoate
SMILESC=CCCCCC[C@@H](C)C(=O)OC
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-9-10(2)11(12)13-3/h4,10H,1,5-9H2,2-3H3/t10-/m1/s1
InChIKeyXBGRTQUFSZKHJS-SNVBAGLBSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

iodo 2-methyldec-9-enoate
CID 87697423
(2R)-2-methylnon-8-enoic acid
CID 129385535
methyl 3-hept-6-enylsulfanyl-2-methylpropanoate
CID 107005995
methyl (2S)-2,13-dimethyltetradecanoate
CID 169492700
methyl (2S)-2-tert-butylnon-8-enoate
CID 160706565
methyl 2-(dimethylamino)non-8-enoate
CID 58307946
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2-methylnonanoate
CID 12525304
methyl 3-methyltetradec-13-enoate
CID 22752955
methyl (3R)-3-methyltridec-12-enoate
CID 52912715
methyl 2-(3,5-difluoroanilino)non-8-enoate
CID 66915358

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methylnon-8-enoate?
The IUPAC name of methyl (2R)-2-methylnon-8-enoate (CID 58289580) is methyl (2R)-2-methylnon-8-enoate.
What is the SMILES notation for methyl (2R)-2-methylnon-8-enoate?
The canonical SMILES for methyl (2R)-2-methylnon-8-enoate is C=CCCCCC[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2R)-2-methylnon-8-enoate?
The InChIKey is XBGRTQUFSZKHJS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-7-8-9-10(2)11(12)13-3/h4,10H,1,5-9H2,2-3H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-methylnon-8-enoate?
methyl (2R)-2-methylnon-8-enoate has a molecular weight of 184.28 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methylnon-8-enoate is sourced from PubChem (CID 58289580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).