methyl 5-methyl-2-methylidenehexa-3,4-dienoate

C9H12O2 — CID 24975496

IUPACmethyl 5-methyl-2-methylidenehexa-3,4-dienoate
SMILESC=C(C=C=C(C)C)C(=O)OC
InChIInChI=1S/C9H12O2/c1-7(2)5-6-8(3)9(10)11-4/h6H,3H2,1-2,4H3
InChIKeyPBIFFTLJBFHLNM-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.84
Rot. Bonds2

About methyl 5-methyl-2-methylidenehexa-3,4-dienoate

methyl 5-methyl-2-methylidenehexa-3,4-dienoate (PubChem CID 24975496) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is methyl 5-methyl-2-methylidenehexa-3,4-dienoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-methylidenehexa-3,4-dienoate
PubChem CID24975496
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namemethyl 5-methyl-2-methylidenehexa-3,4-dienoate
SMILESC=C(C=C=C(C)C)C(=O)OC
InChIInChI=1S/C9H12O2/c1-7(2)5-6-8(3)9(10)11-4/h6H,3H2,1-2,4H3
InChIKeyPBIFFTLJBFHLNM-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-methyl-2-methylidenehexa-3,5-dienoate
CID 173110584
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
carbonodithioic S,S-acid;methyl 2-methylprop-2-enoate
CID 87195360
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
benzene;methane;bis(methyl 2-methylprop-2-enoate)
CID 174531928
methyl (3Z)-5-isocyanato-2-methylidenehexa-3,5-dienoate
CID 118857938
methyl 2-methylprop-2-enoate;tetrakis(prop-2-enoate);silicon(4+)
CID 157143230
deuterium monohydride;methyl 2-methylprop-2-enoate
CID 161063033
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-methylidenehexa-3,4-dienoate?
The IUPAC name of methyl 5-methyl-2-methylidenehexa-3,4-dienoate (CID 24975496) is methyl 5-methyl-2-methylidenehexa-3,4-dienoate.
What is the SMILES notation for methyl 5-methyl-2-methylidenehexa-3,4-dienoate?
The canonical SMILES for methyl 5-methyl-2-methylidenehexa-3,4-dienoate is C=C(C=C=C(C)C)C(=O)OC.
What is the InChIKey of methyl 5-methyl-2-methylidenehexa-3,4-dienoate?
The InChIKey is PBIFFTLJBFHLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7(2)5-6-8(3)9(10)11-4/h6H,3H2,1-2,4H3.
What are the key properties of methyl 5-methyl-2-methylidenehexa-3,4-dienoate?
methyl 5-methyl-2-methylidenehexa-3,4-dienoate has a molecular weight of 152.19 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-methylidenehexa-3,4-dienoate is sourced from PubChem (CID 24975496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).