prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate

C14H20O2 — CID 87234106

IUPACprop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate
SMILESC=CCOC(=O)C(CC=C)(CC=C)CC=C
InChIInChI=1S/C14H20O2/c1-5-9-14(10-6-2,11-7-3)13(15)16-12-8-4/h5-8H,1-4,9-12H2
InChIKeyLSFPTPNHXRNIMQ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.43
Rot. Bonds9

About prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate

prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate (PubChem CID 87234106) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate.

Molecular Properties

Compound Nameprop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate
PubChem CID87234106
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Nameprop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate
SMILESC=CCOC(=O)C(CC=C)(CC=C)CC=C
InChIInChI=1S/C14H20O2/c1-5-9-14(10-6-2,11-7-3)13(15)16-12-8-4/h5-8H,1-4,9-12H2
InChIKeyLSFPTPNHXRNIMQ-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 1-allylcyclopropanecarboxylate
CID 12619317
Ethyl 2-prop-2-enyl-2-prop-1-ynylpent-4-enoate
CID 13426812
Ethyl 2,2-bis(prop-2-enyl)pent-4-enoate
CID 12624745
Ethyl 2,2-diethylpent-4-enoate
CID 12728705
Ethyl 2,2-dimethylpent-4-enoate
CID 13111079
Ethyl 3,3-dimethylhex-5-enoate
CID 13119653
Ethyl 2-tert-butylpent-4-enoate
CID 14718697
Ethyl 3-ethyl-3-methylpent-4-enoate
CID 20066183
Ethyl 2-ethyl-2-methylpent-4-enoate
CID 85943057
Prop-2-enyl 2-fluoro-2-prop-2-enylpent-4-enoate
CID 174743415
Methyl 2-ethyl-2-methylpent-4-enoate
CID 14714437
Ethyl 3,3-diethylpent-4-enoate
CID 129743003

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate?
The IUPAC name of prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate (CID 87234106) is prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate.
What is the SMILES notation for prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate?
The canonical SMILES for prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate is C=CCOC(=O)C(CC=C)(CC=C)CC=C.
What is the InChIKey of prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate?
The InChIKey is LSFPTPNHXRNIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-9-14(10-6-2,11-7-3)13(15)16-12-8-4/h5-8H,1-4,9-12H2.
What are the key properties of prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate?
prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate has a molecular weight of 220.31 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate is sourced from PubChem (CID 87234106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).