ethyl (5R)-2,5-dimethylnon-8-enoate

C13H24O2 — CID 89376277

IUPACethyl (5R)-2,5-dimethylnon-8-enoate
SMILESC=CCC[C@@H](C)CCC(C)C(=O)OCC
InChIInChI=1S/C13H24O2/c1-5-7-8-11(3)9-10-12(4)13(14)15-6-2/h5,11-12H,1,6-10H2,2-4H3/t11-,12?/m1/s1
InChIKeyWAWCVZUABNELDP-JHJMLUEUSA-N
MW212.33 g/mol
LogP3.57
Rot. Bonds8

About ethyl (5R)-2,5-dimethylnon-8-enoate

ethyl (5R)-2,5-dimethylnon-8-enoate (PubChem CID 89376277) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is ethyl (5R)-2,5-dimethylnon-8-enoate.

Molecular Properties

Compound Nameethyl (5R)-2,5-dimethylnon-8-enoate
PubChem CID89376277
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Nameethyl (5R)-2,5-dimethylnon-8-enoate
SMILESC=CCC[C@@H](C)CCC(C)C(=O)OCC
InChIInChI=1S/C13H24O2/c1-5-7-8-11(3)9-10-12(4)13(14)15-6-2/h5,11-12H,1,6-10H2,2-4H3/t11-,12?/m1/s1
InChIKeyWAWCVZUABNELDP-JHJMLUEUSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(1-hydroxyethyl)hex-5-enoate
CID 76532032
ethyl 2-aminohex-5-enoate;hydrochloride
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ethyl 2-methyl-5-oxopentanoate
CID 57121376
ethyl (3R)-2,3-dihydroxyhept-6-enoate
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2-methylhex-5-enyl propanoate
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ethyl 2-methyl-4-prop-2-enoyloxybutanoate
CID 59157368
ethyl (Z)-2-methylhept-5-enoate
CID 88926981
ethyl 2-but-3-enylheptanoate
CID 141221895
ethyl 2-methylhexanoate
CID 12714009
ethyl 2-(1-hydroxyethyl)hept-6-enoate
CID 10726713
ethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate
CID 10857595
ethyl 2-(pent-4-en-2-ylamino)pentanoate
CID 115663777

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-2,5-dimethylnon-8-enoate?
The IUPAC name of ethyl (5R)-2,5-dimethylnon-8-enoate (CID 89376277) is ethyl (5R)-2,5-dimethylnon-8-enoate.
What is the SMILES notation for ethyl (5R)-2,5-dimethylnon-8-enoate?
The canonical SMILES for ethyl (5R)-2,5-dimethylnon-8-enoate is C=CCC[C@@H](C)CCC(C)C(=O)OCC.
What is the InChIKey of ethyl (5R)-2,5-dimethylnon-8-enoate?
The InChIKey is WAWCVZUABNELDP-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-7-8-11(3)9-10-12(4)13(14)15-6-2/h5,11-12H,1,6-10H2,2-4H3/t11-,12?/m1/s1.
What are the key properties of ethyl (5R)-2,5-dimethylnon-8-enoate?
ethyl (5R)-2,5-dimethylnon-8-enoate has a molecular weight of 212.33 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-2,5-dimethylnon-8-enoate is sourced from PubChem (CID 89376277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).