2-methylpropyl 2-methylpent-4-enoate

C10H18O2 — CID 21489697

IUPAC2-methylpropyl 2-methylpent-4-enoate
SMILESC=CCC(C)C(=O)OCC(C)C
InChIInChI=1S/C10H18O2/c1-5-6-9(4)10(11)12-7-8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyWBOXHCVWWIJOLN-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.40
Rot. Bonds5

About 2-methylpropyl 2-methylpent-4-enoate

2-methylpropyl 2-methylpent-4-enoate (PubChem CID 21489697) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methylpropyl 2-methylpent-4-enoate.

Molecular Properties

Compound Name2-methylpropyl 2-methylpent-4-enoate
PubChem CID21489697
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methylpropyl 2-methylpent-4-enoate
SMILESC=CCC(C)C(=O)OCC(C)C
InChIInChI=1S/C10H18O2/c1-5-6-9(4)10(11)12-7-8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyWBOXHCVWWIJOLN-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-methylpent-4-enoate?
The IUPAC name of 2-methylpropyl 2-methylpent-4-enoate (CID 21489697) is 2-methylpropyl 2-methylpent-4-enoate.
What is the SMILES notation for 2-methylpropyl 2-methylpent-4-enoate?
The canonical SMILES for 2-methylpropyl 2-methylpent-4-enoate is C=CCC(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-methylpent-4-enoate?
The InChIKey is WBOXHCVWWIJOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-6-9(4)10(11)12-7-8(2)3/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 2-methylpropyl 2-methylpent-4-enoate?
2-methylpropyl 2-methylpent-4-enoate has a molecular weight of 170.25 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-methylpent-4-enoate is sourced from PubChem (CID 21489697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).