methyl 2-prop-2-ynylpent-4-enoate

C9H12O2 — CID 102368824

IUPACmethyl 2-prop-2-ynylpent-4-enoate
SMILESC#CCC(CC=C)C(=O)OC
InChIInChI=1S/C9H12O2/c1-4-6-8(7-5-2)9(10)11-3/h1,5,8H,2,6-7H2,3H3
InChIKeyHDLSBBNNHHLARP-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.38
Rot. Bonds4

About methyl 2-prop-2-ynylpent-4-enoate

methyl 2-prop-2-ynylpent-4-enoate (PubChem CID 102368824) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is methyl 2-prop-2-ynylpent-4-enoate.

Molecular Properties

Compound Namemethyl 2-prop-2-ynylpent-4-enoate
PubChem CID102368824
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namemethyl 2-prop-2-ynylpent-4-enoate
SMILESC#CCC(CC=C)C(=O)OC
InChIInChI=1S/C9H12O2/c1-4-6-8(7-5-2)9(10)11-3/h1,5,8H,2,6-7H2,3H3
InChIKeyHDLSBBNNHHLARP-UHFFFAOYSA-N
XLogP1.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-prop-2-enylpent-4-enoate
CID 574630
Methyl 2-ethenylpent-4-ynoate
CID 177798219
Ethyl 2-prop-2-enyl-2-prop-1-ynylpent-4-enoate
CID 13426812
Methyl 3,3-dimethyl-2-prop-2-ynylpent-4-enoate
CID 14056978
Methyl 3-methylhex-5-enoate
CID 12589767
Methyl 2-ethylpent-4-enoate
CID 13700206
Methyl 2-prop-1-en-2-ylpent-4-enoate
CID 14571347
methyl (3R)-3-methyl-5-hexenoate
CID 25023467
Methyl 6-methyloct-7-en-2-ynoate
CID 13792402
Methyl 3-ethynyl-3-methylpent-4-enoate
CID 21670496
Ethyl 2-prop-2-ynylpent-4-enoate
CID 132487568
Ethyl 2,2-bis(prop-2-enyl)hept-3-ynoate
CID 134988265

Frequently Asked Questions

What is the IUPAC name of methyl 2-prop-2-ynylpent-4-enoate?
The IUPAC name of methyl 2-prop-2-ynylpent-4-enoate (CID 102368824) is methyl 2-prop-2-ynylpent-4-enoate.
What is the SMILES notation for methyl 2-prop-2-ynylpent-4-enoate?
The canonical SMILES for methyl 2-prop-2-ynylpent-4-enoate is C#CCC(CC=C)C(=O)OC.
What is the InChIKey of methyl 2-prop-2-ynylpent-4-enoate?
The InChIKey is HDLSBBNNHHLARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-6-8(7-5-2)9(10)11-3/h1,5,8H,2,6-7H2,3H3.
What are the key properties of methyl 2-prop-2-ynylpent-4-enoate?
methyl 2-prop-2-ynylpent-4-enoate has a molecular weight of 152.19 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-2-ynylpent-4-enoate is sourced from PubChem (CID 102368824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).