pent-4-enyl 2,2-dimethylpropanoate

C10H18O2 — CID 11229043

IUPACpent-4-enyl 2,2-dimethylpropanoate
SMILESC=CCCCOC(=O)C(C)(C)C
InChIInChI=1S/C10H18O2/c1-5-6-7-8-12-9(11)10(2,3)4/h5H,1,6-8H2,2-4H3
InChIKeyZNZDLXZMEWYQHP-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.54
Rot. Bonds4

About pent-4-enyl 2,2-dimethylpropanoate

pent-4-enyl 2,2-dimethylpropanoate (PubChem CID 11229043) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is pent-4-enyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namepent-4-enyl 2,2-dimethylpropanoate
PubChem CID11229043
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namepent-4-enyl 2,2-dimethylpropanoate
SMILESC=CCCCOC(=O)C(C)(C)C
InChIInChI=1S/C10H18O2/c1-5-6-7-8-12-9(11)10(2,3)4/h5H,1,6-8H2,2-4H3
InChIKeyZNZDLXZMEWYQHP-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Pentenyl acetate
CID 74096
Ethyl cis-4-heptenoate
CID 15824502
Ethyl 4-octenoate, (4E)-
CID 5352799
Ethyl 2-methyl-4-pentenoate
CID 62024
Ethyl 4-pentenoate
CID 74786
Ethyl 4-octenoate, (4Z)-
CID 5352770
4,7-Octadienoic acid, ethyl ester
CID 5352798
Ethyl 4,7-octadienoate, (4Z)-
CID 21159448
Propanoic acid, 2,2-dimethyl-, 3-methyl-3-buten-1-yl ester
CID 53428828
Ethyl oct-4-enoate
CID 61934
4-Heptenoic acid, ethyl ester, (E)-
CID 5362816
Butanoic acid, 2-methyl-, 5-hexen-1-yl ester
CID 58240624

Frequently Asked Questions

What is the IUPAC name of pent-4-enyl 2,2-dimethylpropanoate?
The IUPAC name of pent-4-enyl 2,2-dimethylpropanoate (CID 11229043) is pent-4-enyl 2,2-dimethylpropanoate.
What is the SMILES notation for pent-4-enyl 2,2-dimethylpropanoate?
The canonical SMILES for pent-4-enyl 2,2-dimethylpropanoate is C=CCCCOC(=O)C(C)(C)C.
What is the InChIKey of pent-4-enyl 2,2-dimethylpropanoate?
The InChIKey is ZNZDLXZMEWYQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-6-7-8-12-9(11)10(2,3)4/h5H,1,6-8H2,2-4H3.
What are the key properties of pent-4-enyl 2,2-dimethylpropanoate?
pent-4-enyl 2,2-dimethylpropanoate has a molecular weight of 170.25 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-enyl 2,2-dimethylpropanoate is sourced from PubChem (CID 11229043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).