methyl (Z)-dec-2-en-4,6-diynoate

C11H12O2 — CID 643924

IUPACmethyl (Z)-dec-2-en-4,6-diynoate
SMILESCCCC#CC#C/C=C\C(=O)OC
InChIInChI=1S/C11H12O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-4H2,1-2H3/b10-9-
InChIKeyLWONXTYZMYZRSU-KTKRTIGZSA-N
MW176.21 g/mol
LogP1.52
Rot. Bonds2

About methyl (Z)-dec-2-en-4,6-diynoate

methyl (Z)-dec-2-en-4,6-diynoate (PubChem CID 643924) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is methyl (Z)-dec-2-en-4,6-diynoate.

Molecular Properties

Compound Namemethyl (Z)-dec-2-en-4,6-diynoate
PubChem CID643924
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Namemethyl (Z)-dec-2-en-4,6-diynoate
SMILESCCCC#CC#C/C=C\C(=O)OC
InChIInChI=1S/C11H12O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-4H2,1-2H3/b10-9-
InChIKeyLWONXTYZMYZRSU-KTKRTIGZSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl Fumarate
CID 637568
Dimethyl maleate
CID 5271565
Diethyl fumarate
CID 638144
Diethyl Maleate
CID 5271566
Methyl Crotonate
CID 638132
Dimethyl but-2-enedioate
CID 12215
trans-Dehydromatricaria ester
CID 5281146
2-Decene-4,6,8-triynoic acid, methyl ester, (Z)-
CID 5281309
Lachnophyllum Ester
CID 642290
Methyl isocrotonate
CID 643800
(2Z,8Z)-Matricaria Acid Methyl Ester
CID 5319306
(E,Z)-Marticaria ester
CID 6443002

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-dec-2-en-4,6-diynoate?
The IUPAC name of methyl (Z)-dec-2-en-4,6-diynoate (CID 643924) is methyl (Z)-dec-2-en-4,6-diynoate.
What is the SMILES notation for methyl (Z)-dec-2-en-4,6-diynoate?
The canonical SMILES for methyl (Z)-dec-2-en-4,6-diynoate is CCCC#CC#C/C=C\C(=O)OC.
What is the InChIKey of methyl (Z)-dec-2-en-4,6-diynoate?
The InChIKey is LWONXTYZMYZRSU-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-4H2,1-2H3/b10-9-.
What are the key properties of methyl (Z)-dec-2-en-4,6-diynoate?
methyl (Z)-dec-2-en-4,6-diynoate has a molecular weight of 176.21 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-dec-2-en-4,6-diynoate is sourced from PubChem (CID 643924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).