[(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate

C14H20O4 — CID 11807142

IUPAC[(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
SMILESC#C[C@@H](C)OC(=O)CC1(CCCC=C)OCCO1
InChIInChI=1S/C14H20O4/c1-4-6-7-8-14(16-9-10-17-14)11-13(15)18-12(3)5-2/h2,4,12H,1,6-11H2,3H3/t12-/m1/s1
InChIKeyWNZZKVOMBVMKNB-GFCCVEGCSA-N
MW252.31 g/mol
LogP2.04
Rot. Bonds7

About [(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate

[(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate (PubChem CID 11807142) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is [(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate.

Molecular Properties

Compound Name[(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
PubChem CID11807142
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name[(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
SMILESC#C[C@@H](C)OC(=O)CC1(CCCC=C)OCCO1
InChIInChI=1S/C14H20O4/c1-4-6-7-8-14(16-9-10-17-14)11-13(15)18-12(3)5-2/h2,4,12H,1,6-11H2,3H3/t12-/m1/s1
InChIKeyWNZZKVOMBVMKNB-GFCCVEGCSA-N
XLogP2.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
CID 11128865
Ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate
CID 14545747
Methyl 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
CID 85667171
(2-Oxo-1,3-dioxolan-4-yl)methyl undec-10-enoate
CID 101555593
2-(2-Pent-4-enyl-1,3-dioxolan-2-yl)acetic acid
CID 10899640
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl dec-9-enoate
CID 12102342
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl undec-10-enoate
CID 71770228
(2-Methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate
CID 143616397

Frequently Asked Questions

What is the IUPAC name of [(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate?
The IUPAC name of [(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate (CID 11807142) is [(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate.
What is the SMILES notation for [(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate?
The canonical SMILES for [(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate is C#C[C@@H](C)OC(=O)CC1(CCCC=C)OCCO1.
What is the InChIKey of [(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate?
The InChIKey is WNZZKVOMBVMKNB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-6-7-8-14(16-9-10-17-14)11-13(15)18-12(3)5-2/h2,4,12H,1,6-11H2,3H3/t12-/m1/s1.
What are the key properties of [(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate?
[(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate has a molecular weight of 252.31 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate is sourced from PubChem (CID 11807142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).