2-methylpropyl 2-methylpenta-2,3-dienoate

C10H16O2 — CID 174631316

IUPAC2-methylpropyl 2-methylpenta-2,3-dienoate
SMILESCC=C=C(C)C(=O)OCC(C)C
InChIInChI=1S/C10H16O2/c1-5-6-9(4)10(11)12-7-8(2)3/h5,8H,7H2,1-4H3
InChIKeyIDCGFVGMMXGMEM-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.31
Rot. Bonds3

About 2-methylpropyl 2-methylpenta-2,3-dienoate

2-methylpropyl 2-methylpenta-2,3-dienoate (PubChem CID 174631316) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methylpropyl 2-methylpenta-2,3-dienoate.

Molecular Properties

Compound Name2-methylpropyl 2-methylpenta-2,3-dienoate
PubChem CID174631316
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methylpropyl 2-methylpenta-2,3-dienoate
SMILESCC=C=C(C)C(=O)OCC(C)C
InChIInChI=1S/C10H16O2/c1-5-6-9(4)10(11)12-7-8(2)3/h5,8H,7H2,1-4H3
InChIKeyIDCGFVGMMXGMEM-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl 4-amino-2-methyl-4-oxobut-2-enoate
CID 54504537
2-(carbamoylamino)ethyl 2-methylpenta-2,3-dienoate
CID 57201487
bis(2-methylpropyl) (E)-2-methyl-4-methylidenepent-2-enedioate;ethene
CID 142644366
2-methylpropyl 2-tert-butylbut-2-enoate
CID 174703085
2-methylpropyl 4-(2,5-dimethoxyphenyl)-2-methylbuta-2,3-dienoate
CID 11737844
2-methylpropyl acetate;hydrate
CID 86585368
2-methylpropyl 2-iminopropanoate
CID 91480020
2-methylpropyl buta-2,3-dienoate
CID 86045289
bis(2-methylpropyl) 2-(3-methylbutylidene)propanedioate
CID 90311508
2-methylpropyl 3-methyl-2-methylidenebutanoate
CID 139998385
2-methylpropyl 2-cyano-3-ethoxybut-2-enoate
CID 71429402
bis(2-methylpropyl) 2-propan-2-ylidenebutanedioate
CID 54129822

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-methylpenta-2,3-dienoate?
The IUPAC name of 2-methylpropyl 2-methylpenta-2,3-dienoate (CID 174631316) is 2-methylpropyl 2-methylpenta-2,3-dienoate.
What is the SMILES notation for 2-methylpropyl 2-methylpenta-2,3-dienoate?
The canonical SMILES for 2-methylpropyl 2-methylpenta-2,3-dienoate is CC=C=C(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-methylpenta-2,3-dienoate?
The InChIKey is IDCGFVGMMXGMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-6-9(4)10(11)12-7-8(2)3/h5,8H,7H2,1-4H3.
What are the key properties of 2-methylpropyl 2-methylpenta-2,3-dienoate?
2-methylpropyl 2-methylpenta-2,3-dienoate has a molecular weight of 168.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-methylpenta-2,3-dienoate is sourced from PubChem (CID 174631316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).