methyl (Z)-dec-2-en-4,6,8-triynoate

C11H8O2 — CID 5281309

IUPACmethyl (Z)-dec-2-en-4,6,8-triynoate
SMILESCC#CC#CC#C/C=C\C(=O)OC
InChIInChI=1S/C11H8O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,1-2H3/b10-9-
InChIKeyLBAVIXQTLKRIGP-KTKRTIGZSA-N
MW172.18 g/mol
LogP0.75
Rot. Bonds1

About methyl (Z)-dec-2-en-4,6,8-triynoate

methyl (Z)-dec-2-en-4,6,8-triynoate (PubChem CID 5281309) has the molecular formula C11H8O2 and a molecular weight of 172.18 g/mol. Its IUPAC name is methyl (Z)-dec-2-en-4,6,8-triynoate.

Molecular Properties

Compound Namemethyl (Z)-dec-2-en-4,6,8-triynoate
PubChem CID5281309
Molecular FormulaC11H8O2
Molecular Weight172.18 g/mol
Exact Mass172.05
IUPAC Namemethyl (Z)-dec-2-en-4,6,8-triynoate
SMILESCC#CC#CC#C/C=C\C(=O)OC
InChIInChI=1S/C11H8O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,1-2H3/b10-9-
InChIKeyLBAVIXQTLKRIGP-KTKRTIGZSA-N
XLogP0.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.75
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
Butyl crotonate
CID 5366039
Dimethyl but-2-enedioate
CID 12215
Dipropyl maleate
CID 5271567
Crotonic anhydride
CID 6049834
2-Butenoic acid, 1,1'-anhydride
CID 12189
trans-Dehydromatricaria ester
CID 5281146
2-Butenedioic acid (2E)-, 1,4-dipropyl ester
CID 5271568

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-dec-2-en-4,6,8-triynoate?
The IUPAC name of methyl (Z)-dec-2-en-4,6,8-triynoate (CID 5281309) is methyl (Z)-dec-2-en-4,6,8-triynoate.
What is the SMILES notation for methyl (Z)-dec-2-en-4,6,8-triynoate?
The canonical SMILES for methyl (Z)-dec-2-en-4,6,8-triynoate is CC#CC#CC#C/C=C\C(=O)OC.
What is the InChIKey of methyl (Z)-dec-2-en-4,6,8-triynoate?
The InChIKey is LBAVIXQTLKRIGP-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H8O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,1-2H3/b10-9-.
What are the key properties of methyl (Z)-dec-2-en-4,6,8-triynoate?
methyl (Z)-dec-2-en-4,6,8-triynoate has a molecular weight of 172.18 g/mol, XLogP of 0.75, 1 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-4,6,8-triynoate is sourced from PubChem (CID 5281309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).