methyl (Z)-dec-4-enoate

C11H20O2 — CID 5352371

IUPACmethyl (Z)-dec-4-enoate
SMILESCCCCC/C=C\CCC(=O)OC
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-
InChIKeyCRHITZQXHNFRAZ-FPLPWBNLSA-N
MW184.28 g/mol
LogP3.08
Rot. Bonds7

About methyl (Z)-dec-4-enoate

methyl (Z)-dec-4-enoate (PubChem CID 5352371) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is methyl (Z)-dec-4-enoate.

Molecular Properties

Compound Namemethyl (Z)-dec-4-enoate
PubChem CID5352371
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namemethyl (Z)-dec-4-enoate
SMILESCCCCC/C=C\CCC(=O)OC
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-
InChIKeyCRHITZQXHNFRAZ-FPLPWBNLSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.08
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

cis-3-Hexenyl butanoate
CID 5352438
4-Tridecen-1-yl acetate, (4E)-
CID 5365748
5-Octenyl acetate, (5Z)-
CID 5352838
5-Octenyl propionate, (5Z)-
CID 11041412
Ethyl cis-4-heptenoate
CID 15824502
6-Nonenyl acetate, (6Z)-
CID 5363389
Ethyl arachidonate
CID 5367369
4-Decenyl acetate, (4Z)-
CID 5352830
(E)-5-Decenyl acetate
CID 5363095
4-Tridecen-1-yl acetate, (4Z)-
CID 5365747
2-Octen-1-yl butyrate, (2E)-
CID 5362591
3-Nonenyl acetate, (3Z)-
CID 71586960

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-dec-4-enoate?
The IUPAC name of methyl (Z)-dec-4-enoate (CID 5352371) is methyl (Z)-dec-4-enoate.
What is the SMILES notation for methyl (Z)-dec-4-enoate?
The canonical SMILES for methyl (Z)-dec-4-enoate is CCCCC/C=C\CCC(=O)OC.
What is the InChIKey of methyl (Z)-dec-4-enoate?
The InChIKey is CRHITZQXHNFRAZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-.
What are the key properties of methyl (Z)-dec-4-enoate?
methyl (Z)-dec-4-enoate has a molecular weight of 184.28 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-dec-4-enoate is sourced from PubChem (CID 5352371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).