methyl (E)-8-methoxy-3,8-dimethyldec-2-enoate

C14H26O3 — CID 22749888

IUPACmethyl (E)-8-methoxy-3,8-dimethyldec-2-enoate
SMILESCCC(C)(CCCC/C(C)=C/C(=O)OC)OC
InChIInChI=1S/C14H26O3/c1-6-14(3,17-5)10-8-7-9-12(2)11-13(15)16-4/h11H,6-10H2,1-5H3/b12-11+
InChIKeyYTIUNIYDRLUMTG-VAWYXSNFSA-N
MW242.36 g/mol
LogP3.48
Rot. Bonds8

About methyl (E)-8-methoxy-3,8-dimethyldec-2-enoate

methyl (E)-8-methoxy-3,8-dimethyldec-2-enoate (PubChem CID 22749888) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl (E)-8-methoxy-3,8-dimethyldec-2-enoate.

Molecular Properties

Compound Namemethyl (E)-8-methoxy-3,8-dimethyldec-2-enoate
PubChem CID22749888
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Namemethyl (E)-8-methoxy-3,8-dimethyldec-2-enoate
SMILESCCC(C)(CCCC/C(C)=C/C(=O)OC)OC
InChIInChI=1S/C14H26O3/c1-6-14(3,17-5)10-8-7-9-12(2)11-13(15)16-4/h11H,6-10H2,1-5H3/b12-11+
InChIKeyYTIUNIYDRLUMTG-VAWYXSNFSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-8-methoxy-3,8-dimethyldec-2-enoate?
The IUPAC name of methyl (E)-8-methoxy-3,8-dimethyldec-2-enoate (CID 22749888) is methyl (E)-8-methoxy-3,8-dimethyldec-2-enoate.
What is the SMILES notation for methyl (E)-8-methoxy-3,8-dimethyldec-2-enoate?
The canonical SMILES for methyl (E)-8-methoxy-3,8-dimethyldec-2-enoate is CCC(C)(CCCC/C(C)=C/C(=O)OC)OC.
What is the InChIKey of methyl (E)-8-methoxy-3,8-dimethyldec-2-enoate?
The InChIKey is YTIUNIYDRLUMTG-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H26O3/c1-6-14(3,17-5)10-8-7-9-12(2)11-13(15)16-4/h11H,6-10H2,1-5H3/b12-11+.
What are the key properties of methyl (E)-8-methoxy-3,8-dimethyldec-2-enoate?
methyl (E)-8-methoxy-3,8-dimethyldec-2-enoate has a molecular weight of 242.36 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-8-methoxy-3,8-dimethyldec-2-enoate is sourced from PubChem (CID 22749888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).