ethyl (E)-9,9-dimethyldec-7-enoate

C14H26O2 — CID 102355070

IUPACethyl (E)-9,9-dimethyldec-7-enoate
SMILESCCOC(=O)CCCCC/C=C/C(C)(C)C
InChIInChI=1S/C14H26O2/c1-5-16-13(15)11-9-7-6-8-10-12-14(2,3)4/h10,12H,5-9,11H2,1-4H3/b12-10+
InChIKeySWDXGYGQEGOWOQ-ZRDIBKRKSA-N
MW226.36 g/mol
LogP4.10
Rot. Bonds7

About ethyl (E)-9,9-dimethyldec-7-enoate

ethyl (E)-9,9-dimethyldec-7-enoate (PubChem CID 102355070) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is ethyl (E)-9,9-dimethyldec-7-enoate.

Molecular Properties

Compound Nameethyl (E)-9,9-dimethyldec-7-enoate
PubChem CID102355070
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Nameethyl (E)-9,9-dimethyldec-7-enoate
SMILESCCOC(=O)CCCCC/C=C/C(C)(C)C
InChIInChI=1S/C14H26O2/c1-5-16-13(15)11-9-7-6-8-10-12-14(2,3)4/h10,12H,5-9,11H2,1-4H3/b12-10+
InChIKeySWDXGYGQEGOWOQ-ZRDIBKRKSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.10
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

ethyl 8,8,8-trifluorooct-6-enoate
CID 162537305
ethyl (E)-11-iodoundec-10-enoate
CID 100951018
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl octadec-8-enoate
CID 71350628
CID 175771564
CID 175771564
ethyl octadeca-9,11-dienoate
CID 71333061
ethyl (6Z)-nona-6,8-dienoate
CID 11001790
diethyl icosanedioate
CID 5058538
ethyl hept-6-enoate
CID 560341
ethyl (11Z)-icosa-11,14-dienoate
CID 77134635
ethyl (6E,9E,12E)-hexadeca-6,9,12,15-tetraenoate
CID 171042765
ethyl octadec-9-enoate;octadec-9-enoic acid
CID 173380169

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-9,9-dimethyldec-7-enoate?
The IUPAC name of ethyl (E)-9,9-dimethyldec-7-enoate (CID 102355070) is ethyl (E)-9,9-dimethyldec-7-enoate.
What is the SMILES notation for ethyl (E)-9,9-dimethyldec-7-enoate?
The canonical SMILES for ethyl (E)-9,9-dimethyldec-7-enoate is CCOC(=O)CCCCC/C=C/C(C)(C)C.
What is the InChIKey of ethyl (E)-9,9-dimethyldec-7-enoate?
The InChIKey is SWDXGYGQEGOWOQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-16-13(15)11-9-7-6-8-10-12-14(2,3)4/h10,12H,5-9,11H2,1-4H3/b12-10+.
What are the key properties of ethyl (E)-9,9-dimethyldec-7-enoate?
ethyl (E)-9,9-dimethyldec-7-enoate has a molecular weight of 226.36 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-9,9-dimethyldec-7-enoate is sourced from PubChem (CID 102355070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).