methyl 2-methoxyundec-10-enoate

C13H24O3 — CID 565749

IUPACmethyl 2-methoxyundec-10-enoate
SMILESC=CCCCCCCCC(OC)C(=O)OC
InChIInChI=1S/C13H24O3/c1-4-5-6-7-8-9-10-11-12(15-2)13(14)16-3/h4,12H,1,5-11H2,2-3H3
InChIKeyRNLTVXOMSPHSQK-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.09
Rot. Bonds10

About methyl 2-methoxyundec-10-enoate

methyl 2-methoxyundec-10-enoate (PubChem CID 565749) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is methyl 2-methoxyundec-10-enoate.

Molecular Properties

Compound Namemethyl 2-methoxyundec-10-enoate
PubChem CID565749
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Namemethyl 2-methoxyundec-10-enoate
SMILESC=CCCCCCCCC(OC)C(=O)OC
InChIInChI=1S/C13H24O3/c1-4-5-6-7-8-9-10-11-12(15-2)13(14)16-3/h4,12H,1,5-11H2,2-3H3
InChIKeyRNLTVXOMSPHSQK-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.09
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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Related Compounds

Isopropyl undecylenate
CID 79578
Sodium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl oleate
CID 23684574
Nonanoic acid, ester with allyl lactate
CID 45182
[(E)-undec-8-enyl] 12-[(2S)-5,6-dioxo-1,4-dioxan-2-yl]dodecanoate
CID 163040310
12-Pent-4-enyl-oxacyclododecan-2-one
CID 21885416
12-Keto-9(2)-octadecen-13-olide
CID 6443930
Methyl (6z)-2-methoxy-6-hexadecenoate
CID 11822655
Methoxy ethyl oleate
CID 88460538
Epoxy methyl 10-undecenoate
CID 163362437
2-Undec-10-enoyloxyhexadecyl undec-10-enoate
CID 160425200
2-Undec-10-enoyloxydodecyl undec-10-enoate
CID 161566395
Isopropyl 11-dodecenoate
CID 17824977

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxyundec-10-enoate?
The IUPAC name of methyl 2-methoxyundec-10-enoate (CID 565749) is methyl 2-methoxyundec-10-enoate.
What is the SMILES notation for methyl 2-methoxyundec-10-enoate?
The canonical SMILES for methyl 2-methoxyundec-10-enoate is C=CCCCCCCCC(OC)C(=O)OC.
What is the InChIKey of methyl 2-methoxyundec-10-enoate?
The InChIKey is RNLTVXOMSPHSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-5-6-7-8-9-10-11-12(15-2)13(14)16-3/h4,12H,1,5-11H2,2-3H3.
What are the key properties of methyl 2-methoxyundec-10-enoate?
methyl 2-methoxyundec-10-enoate has a molecular weight of 228.33 g/mol, XLogP of 3.09, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxyundec-10-enoate is sourced from PubChem (CID 565749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).