2,2-bis(prop-2-enyl)pent-4-enoyl chloride

C11H15ClO — CID 18943909

IUPAC2,2-bis(prop-2-enyl)pent-4-enoyl chloride
SMILESC=CCC(CC=C)(CC=C)C(=O)Cl
InChIInChI=1S/C11H15ClO/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-6H,1-3,7-9H2
InChIKeyVZERECCNFNKDML-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.47
Rot. Bonds7

About 2,2-bis(prop-2-enyl)pent-4-enoyl chloride

2,2-bis(prop-2-enyl)pent-4-enoyl chloride (PubChem CID 18943909) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)pent-4-enoyl chloride.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)pent-4-enoyl chloride
PubChem CID18943909
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name2,2-bis(prop-2-enyl)pent-4-enoyl chloride
SMILESC=CCC(CC=C)(CC=C)C(=O)Cl
InChIInChI=1S/C11H15ClO/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-6H,1-3,7-9H2
InChIKeyVZERECCNFNKDML-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate
CID 87234106
but-3-ene-1,1,1-tricarboxylic acid
CID 59237686
4-acetyl-4-prop-2-enylheptanedioate
CID 7312411
ethyl 2-chloro-3-hydroxy-3-phenylhex-5-enoate
CID 10778350
1-bromo-3-hydroxy-3-prop-2-enylhex-5-en-2-one
CID 23007858
methyl (2S)-2-ethyl-2-propylpent-4-enoate
CID 642266
ethyl 2-(ethylperoxymethyl)-2-prop-2-enylpent-4-enoate
CID 88570454
carbonic acid;4,5-dichloroocta-1,4,7-triene
CID 173029728
3-benzyl-3-prop-2-enylpentane-2,4-dione
CID 154723587
prop-2-enoyl chloride
CID 23168843
dichloromethane;prop-2-enoyl chloride
CID 146265417
N,N,N',N'-tetramethyl-2,2-bis(prop-2-enyl)propanediamide
CID 87328537

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(prop-2-enyl)pent-4-enoyl chloride?
The IUPAC name of 2,2-bis(prop-2-enyl)pent-4-enoyl chloride (CID 18943909) is 2,2-bis(prop-2-enyl)pent-4-enoyl chloride.
What is the SMILES notation for 2,2-bis(prop-2-enyl)pent-4-enoyl chloride?
The canonical SMILES for 2,2-bis(prop-2-enyl)pent-4-enoyl chloride is C=CCC(CC=C)(CC=C)C(=O)Cl.
What is the InChIKey of 2,2-bis(prop-2-enyl)pent-4-enoyl chloride?
The InChIKey is VZERECCNFNKDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-4-7-11(8-5-2,9-6-3)10(12)13/h4-6H,1-3,7-9H2.
What are the key properties of 2,2-bis(prop-2-enyl)pent-4-enoyl chloride?
2,2-bis(prop-2-enyl)pent-4-enoyl chloride has a molecular weight of 198.69 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)pent-4-enoyl chloride is sourced from PubChem (CID 18943909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).