cyclopentyl (Z)-2-methylbut-2-enoate

C10H16O2 — CID 70402433

IUPACcyclopentyl (Z)-2-methylbut-2-enoate
SMILESC/C=C(/C)C(=O)OC1CCCC1
InChIInChI=1S/C10H16O2/c1-3-8(2)10(11)12-9-6-4-5-7-9/h3,9H,4-7H2,1-2H3/b8-3-
InChIKeyRHODNWCBNZGUKH-BAQGIRSFSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds2

About cyclopentyl (Z)-2-methylbut-2-enoate

cyclopentyl (Z)-2-methylbut-2-enoate (PubChem CID 70402433) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is cyclopentyl (Z)-2-methylbut-2-enoate.

Molecular Properties

Compound Namecyclopentyl (Z)-2-methylbut-2-enoate
PubChem CID70402433
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namecyclopentyl (Z)-2-methylbut-2-enoate
SMILESC/C=C(/C)C(=O)OC1CCCC1
InChIInChI=1S/C10H16O2/c1-3-8(2)10(11)12-9-6-4-5-7-9/h3,9H,4-7H2,1-2H3/b8-3-
InChIKeyRHODNWCBNZGUKH-BAQGIRSFSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl (Z)-2-methylbut-2-enoate?
The IUPAC name of cyclopentyl (Z)-2-methylbut-2-enoate (CID 70402433) is cyclopentyl (Z)-2-methylbut-2-enoate.
What is the SMILES notation for cyclopentyl (Z)-2-methylbut-2-enoate?
The canonical SMILES for cyclopentyl (Z)-2-methylbut-2-enoate is C/C=C(/C)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl (Z)-2-methylbut-2-enoate?
The InChIKey is RHODNWCBNZGUKH-BAQGIRSFSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-8(2)10(11)12-9-6-4-5-7-9/h3,9H,4-7H2,1-2H3/b8-3-.
What are the key properties of cyclopentyl (Z)-2-methylbut-2-enoate?
cyclopentyl (Z)-2-methylbut-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (Z)-2-methylbut-2-enoate is sourced from PubChem (CID 70402433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).