4-methylpent-1-enyl prop-2-enoate

C9H14O2 — CID 141310701

IUPAC4-methylpent-1-enyl prop-2-enoate
SMILESC=CC(=O)OC=CCC(C)C
InChIInChI=1S/C9H14O2/c1-4-9(10)11-7-5-6-8(2)3/h4-5,7-8H,1,6H2,2-3H3
InChIKeyDKRLGFVLUORWMU-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.28
Rot. Bonds4

About 4-methylpent-1-enyl prop-2-enoate

4-methylpent-1-enyl prop-2-enoate (PubChem CID 141310701) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-methylpent-1-enyl prop-2-enoate.

Molecular Properties

Compound Name4-methylpent-1-enyl prop-2-enoate
PubChem CID141310701
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-methylpent-1-enyl prop-2-enoate
SMILESC=CC(=O)OC=CCC(C)C
InChIInChI=1S/C9H14O2/c1-4-9(10)11-7-5-6-8(2)3/h4-5,7-8H,1,6H2,2-3H3
InChIKeyDKRLGFVLUORWMU-UHFFFAOYSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(4-methylpent-1-enyl) carbonate
CID 174953657
4-hydroxybut-1-enyl prop-2-enoate
CID 141007650
hex-1-enyl prop-2-enoate
CID 54292849
hept-1-enyl prop-2-enoate
CID 91566435
tetradec-1-enyl prop-2-enoate
CID 140580779
prop-2-enyl (E)-5-methylhex-2-enoate
CID 87327194
bis(2-prop-2-enoyloxyethenyl) butanedioate
CID 175454697
(Z)-4-methyl-1-prop-2-enoxypent-1-ene
CID 118124236
sodium;hydride;3-prop-2-enoyloxyprop-2-ene-1-sulfonic acid
CID 175226552
trimethyl(2-prop-2-enoyloxyethenyl)azanium
CID 171617100
[(1E)-4,5-dimethylocta-1,7-dienyl] propanoate
CID 101283460
(E)-3-prop-2-enoyloxyprop-2-enoic acid
CID 14647351

Frequently Asked Questions

What is the IUPAC name of 4-methylpent-1-enyl prop-2-enoate?
The IUPAC name of 4-methylpent-1-enyl prop-2-enoate (CID 141310701) is 4-methylpent-1-enyl prop-2-enoate.
What is the SMILES notation for 4-methylpent-1-enyl prop-2-enoate?
The canonical SMILES for 4-methylpent-1-enyl prop-2-enoate is C=CC(=O)OC=CCC(C)C.
What is the InChIKey of 4-methylpent-1-enyl prop-2-enoate?
The InChIKey is DKRLGFVLUORWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-9(10)11-7-5-6-8(2)3/h4-5,7-8H,1,6H2,2-3H3.
What are the key properties of 4-methylpent-1-enyl prop-2-enoate?
4-methylpent-1-enyl prop-2-enoate has a molecular weight of 154.21 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-1-enyl prop-2-enoate is sourced from PubChem (CID 141310701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).