oct-7-en-2-yl 4-methylhex-5-enoate

C15H26O2 — CID 162413116

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

About oct-7-en-2-yl 4-methylhex-5-enoate

oct-7-en-2-yl 4-methylhex-5-enoate (PubChem CID 162413116) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is oct-7-en-2-yl 4-methylhex-5-enoate.

Molecular Properties

Compound Nameoct-7-en-2-yl 4-methylhex-5-enoate
PubChem CID162413116
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameoct-7-en-2-yl 4-methylhex-5-enoate
SMILESC=CCCCCC(C)OC(=O)CCC(C)C=C
InChIInChI=1S/C15H26O2/c1-5-7-8-9-10-14(4)17-15(16)12-11-13(3)6-2/h5-6,13-14H,1-2,7-12H2,3-4H3
InChIKeyOGYSXMDSZUVDJI-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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Related Compounds

Hexyl 2-methyl-4-pentenoate
CID 57351134
Butanoic acid, 2-methyl-, 5-hexen-1-yl ester
CID 58240624
Propanoic acid, 2-methyl-, 1-ethenylhexyl ester
CID 3022986
3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester
CID 112639
Dihydro-5-methyl-3-(2-propen-1-yl)-2(3H)-furanone
CID 19826
2-Cyclopentene-1-acetic acid, 1-methylheptyl ester
CID 175576
Ethyl 2-methyl-3-oxohept-6-enoate
CID 10954205
2-Propyl-4-pentenoic Acid Methyl Ester
CID 21593437
5-Dodecen-11-olide
CID 5365576
Siglure
CID 164964
Propan-2-yl 2-propylpent-4-enoate
CID 44395658
Isopropyl cyclohexane-3-ene carboxylate
CID 15930975

Frequently Asked Questions

What is the IUPAC name of oct-7-en-2-yl 4-methylhex-5-enoate?
The IUPAC name of oct-7-en-2-yl 4-methylhex-5-enoate (CID 162413116) is oct-7-en-2-yl 4-methylhex-5-enoate.
What is the SMILES notation for oct-7-en-2-yl 4-methylhex-5-enoate?
The canonical SMILES for oct-7-en-2-yl 4-methylhex-5-enoate is C=CCCCCC(C)OC(=O)CCC(C)C=C.
What is the InChIKey of oct-7-en-2-yl 4-methylhex-5-enoate?
The InChIKey is OGYSXMDSZUVDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-7-8-9-10-14(4)17-15(16)12-11-13(3)6-2/h5-6,13-14H,1-2,7-12H2,3-4H3.
What are the key properties of oct-7-en-2-yl 4-methylhex-5-enoate?
oct-7-en-2-yl 4-methylhex-5-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 oct-7-en-2-yl 4-methylhex-5-enoate is sourced from PubChem (CID 162413116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).