methyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate

C16H18O3 — CID 162896969

IUPACmethyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate
SMILESCC=C(C)COCC=CC#CC#CC=CC(=O)OC
InChIInChI=1S/C16H18O3/c1-4-15(2)14-19-13-11-9-7-5-6-8-10-12-16(17)18-3/h4,9-12H,13-14H2,1-3H3
InChIKeyUATXVVCNAWZZLB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.26
Rot. Bonds5

About methyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate

methyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate (PubChem CID 162896969) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate.

Molecular Properties

Compound Namemethyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate
PubChem CID162896969
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Namemethyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate
SMILESCC=C(C)COCC=CC#CC#CC=CC(=O)OC
InChIInChI=1S/C16H18O3/c1-4-15(2)14-19-13-11-9-7-5-6-8-10-12-16(17)18-3/h4,9-12H,13-14H2,1-3H3
InChIKeyUATXVVCNAWZZLB-UHFFFAOYSA-N
XLogP2.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2E,8Z)-10-[(Z)-2-methylbut-2-enoyl]oxydeca-2,8-dien-4,6-diynoate
CID 6475134
methyl (Z)-4-(2-oxopropoxy)but-2-enoate
CID 10442145
methyl (2E,6E)-8-oxonona-2,6-dien-4-ynoate
CID 12535674
[(2E,8Z)-deca-2,8-dien-4,6-diynyl] 3-methylbut-2-enoate
CID 90470855
methyl (2E,4E)-6-oxohepta-2,4-dienoate
CID 13383933
dec-2-en-4,6-diynyl acetate
CID 78385189
methyl (2Z,6E)-7-chlorohepta-2,6-dien-4-ynoate
CID 12031748
dimethyl (2E,5E)-hepta-2,5-dienedioate
CID 23523209
4-O-[(E)-but-2-enyl] 1-O-methyl (Z)-but-2-enedioate
CID 102248901
CID 142476100
CID 142476100
CID 160615105
CID 160615105
methyl (Z)-5-tributylstannylpent-2-en-4-ynoate
CID 177462533

Frequently Asked Questions

What is the IUPAC name of methyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate?
The IUPAC name of methyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate (CID 162896969) is methyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate.
What is the SMILES notation for methyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate?
The canonical SMILES for methyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate is CC=C(C)COCC=CC#CC#CC=CC(=O)OC.
What is the InChIKey of methyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate?
The InChIKey is UATXVVCNAWZZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-4-15(2)14-19-13-11-9-7-5-6-8-10-12-16(17)18-3/h4,9-12H,13-14H2,1-3H3.
What are the key properties of methyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate?
methyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate has a molecular weight of 258.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-(2-methylbut-2-enoxy)deca-2,8-dien-4,6-diynoate is sourced from PubChem (CID 162896969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).