[(Z,2R)-pent-3-en-2-yl] hex-2-ynoate

C11H16O2 — CID 11148078

IUPAC[(Z,2R)-pent-3-en-2-yl] hex-2-ynoate
SMILESC/C=C\[C@@H](C)OC(=O)C#CCCC
InChIInChI=1S/C11H16O2/c1-4-6-7-9-11(12)13-10(3)8-5-2/h5,8,10H,4,6H2,1-3H3/b8-5-/t10-/m1/s1
InChIKeyNAYGOXGKQVZKAB-DAGBOUIGSA-N
MW180.25 g/mol
LogP2.30
Rot. Bonds3

About [(Z,2R)-pent-3-en-2-yl] hex-2-ynoate

[(Z,2R)-pent-3-en-2-yl] hex-2-ynoate (PubChem CID 11148078) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is [(Z,2R)-pent-3-en-2-yl] hex-2-ynoate.

Molecular Properties

Compound Name[(Z,2R)-pent-3-en-2-yl] hex-2-ynoate
PubChem CID11148078
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name[(Z,2R)-pent-3-en-2-yl] hex-2-ynoate
SMILESC/C=C\[C@@H](C)OC(=O)C#CCCC
InChIInChI=1S/C11H16O2/c1-4-6-7-9-11(12)13-10(3)8-5-2/h5,8,10H,4,6H2,1-3H3/b8-5-/t10-/m1/s1
InChIKeyNAYGOXGKQVZKAB-DAGBOUIGSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-pent-3-en-2-yl] hex-2-ynoate
CID 11435299
[(E,2S)-oct-3-en-2-yl] but-2-ynoate
CID 102214690
[(E,2S)-pent-3-en-2-yl] (E,3S)-3-methylhex-4-enoate
CID 10976411
[(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate
CID 100943003
[(E)-pent-3-en-2-yl] (E)-but-2-enoate
CID 14910863
pent-3-en-2-yl 2,2-dimethylpropanoate
CID 71349437
[(2R,5S)-5-hydroxyhex-3-en-2-yl] but-2-ynoate
CID 177396100
hex-2-ynethioic S-acid
CID 57208590
2-pent-3-en-2-yloxypentane
CID 123238245
ethyl 2-methylpent-3-enoate
CID 53428586
(4-methylphenyl) hex-2-ynoate
CID 164665119
methyl (E)-3-methyloct-2-en-4-ynoate
CID 135083767

Frequently Asked Questions

What is the IUPAC name of [(Z,2R)-pent-3-en-2-yl] hex-2-ynoate?
The IUPAC name of [(Z,2R)-pent-3-en-2-yl] hex-2-ynoate (CID 11148078) is [(Z,2R)-pent-3-en-2-yl] hex-2-ynoate.
What is the SMILES notation for [(Z,2R)-pent-3-en-2-yl] hex-2-ynoate?
The canonical SMILES for [(Z,2R)-pent-3-en-2-yl] hex-2-ynoate is C/C=C\[C@@H](C)OC(=O)C#CCCC.
What is the InChIKey of [(Z,2R)-pent-3-en-2-yl] hex-2-ynoate?
The InChIKey is NAYGOXGKQVZKAB-DAGBOUIGSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-6-7-9-11(12)13-10(3)8-5-2/h5,8,10H,4,6H2,1-3H3/b8-5-/t10-/m1/s1.
What are the key properties of [(Z,2R)-pent-3-en-2-yl] hex-2-ynoate?
[(Z,2R)-pent-3-en-2-yl] hex-2-ynoate has a molecular weight of 180.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2R)-pent-3-en-2-yl] hex-2-ynoate is sourced from PubChem (CID 11148078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).