7-methylnon-8-en-2-yl pent-4-enoate

C15H26O2 — CID 162413015

IUPAC7-methylnon-8-en-2-yl pent-4-enoate
SMILESC=CCCC(=O)OC(C)CCCCC(C)C=C
InChIInChI=1S/C15H26O2/c1-5-7-12-15(16)17-14(4)11-9-8-10-13(3)6-2/h5-6,13-14H,1-2,7-12H2,3-4H3
InChIKeyQJBHIFPEYDJFLC-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.27
Rot. Bonds10

About 7-methylnon-8-en-2-yl pent-4-enoate

7-methylnon-8-en-2-yl pent-4-enoate (PubChem CID 162413015) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 7-methylnon-8-en-2-yl pent-4-enoate.

Molecular Properties

Compound Name7-methylnon-8-en-2-yl pent-4-enoate
PubChem CID162413015
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name7-methylnon-8-en-2-yl pent-4-enoate
SMILESC=CCCC(=O)OC(C)CCCCC(C)C=C
InChIInChI=1S/C15H26O2/c1-5-7-12-15(16)17-14(4)11-9-8-10-13(3)6-2/h5-6,13-14H,1-2,7-12H2,3-4H3
InChIKeyQJBHIFPEYDJFLC-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.27
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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Frequently Asked Questions

What is the IUPAC name of 7-methylnon-8-en-2-yl pent-4-enoate?
The IUPAC name of 7-methylnon-8-en-2-yl pent-4-enoate (CID 162413015) is 7-methylnon-8-en-2-yl pent-4-enoate.
What is the SMILES notation for 7-methylnon-8-en-2-yl pent-4-enoate?
The canonical SMILES for 7-methylnon-8-en-2-yl pent-4-enoate is C=CCCC(=O)OC(C)CCCCC(C)C=C.
What is the InChIKey of 7-methylnon-8-en-2-yl pent-4-enoate?
The InChIKey is QJBHIFPEYDJFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-7-12-15(16)17-14(4)11-9-8-10-13(3)6-2/h5-6,13-14H,1-2,7-12H2,3-4H3.
What are the key properties of 7-methylnon-8-en-2-yl pent-4-enoate?
7-methylnon-8-en-2-yl pent-4-enoate has a molecular weight of 238.37 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylnon-8-en-2-yl pent-4-enoate is sourced from PubChem (CID 162413015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).