[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate

C15H24O2 — CID 167457849

IUPAC[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate
SMILESC=C/C=C(\C=C/C)COC(=O)C(C)(C)CCC
InChIInChI=1S/C15H24O2/c1-6-9-13(10-7-2)12-17-14(16)15(4,5)11-8-3/h6-7,9-10H,1,8,11-12H2,2-5H3/b10-7-,13-9+
InChIKeyWQMPPANATXFRLG-JWUMZWSUSA-N
MW236.35 g/mol
LogP4.04
Rot. Bonds7

About [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate

[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate (PubChem CID 167457849) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate.

Molecular Properties

Compound Name[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate
PubChem CID167457849
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate
SMILESC=C/C=C(\C=C/C)COC(=O)C(C)(C)CCC
InChIInChI=1S/C15H24O2/c1-6-9-13(10-7-2)12-17-14(16)15(4,5)11-8-3/h6-7,9-10H,1,8,11-12H2,2-5H3/b10-7-,13-9+
InChIKeyWQMPPANATXFRLG-JWUMZWSUSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine
CID 143612391
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
prop-2-enoyl 2,2-dimethylpentanoate
CID 164546657
[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2,2-dimethylpentanoate
CID 126514204
(3E,5Z)-4-(2-methylbutoxymethyl)hepta-1,3,5-triene
CID 143465864
(3,3-dimethyl-2-prop-2-enoyloxybutyl) 2,2-dimethylpentanoate
CID 88562783
[(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate
CID 143244884
(E)-5,5-dimethylhept-2-en-4-one
CID 88902655
prop-2-enyl 2,2-dimethylbutanoate
CID 18714422
2-hydroxyprop-2-enyl 2,2-dimethylbutanoate
CID 87159504
heptyl 2,2-dimethylpentanoate
CID 138486216
ethyl 2,2-dimethylhex-5-enoate
CID 14906730

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate?
The IUPAC name of [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate (CID 167457849) is [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate.
What is the SMILES notation for [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate?
The canonical SMILES for [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate is C=C/C=C(\C=C/C)COC(=O)C(C)(C)CCC.
What is the InChIKey of [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate?
The InChIKey is WQMPPANATXFRLG-JWUMZWSUSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-9-13(10-7-2)12-17-14(16)15(4,5)11-8-3/h6-7,9-10H,1,8,11-12H2,2-5H3/b10-7-,13-9+.
What are the key properties of [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate?
[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate has a molecular weight of 236.35 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate is sourced from PubChem (CID 167457849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).