[(2R)-but-3-en-2-yl] acetate

C6H10O2 — CID 11378468

IUPAC[(2R)-but-3-en-2-yl] acetate
SMILESC=C[C@@H](C)OC(C)=O
InChIInChI=1S/C6H10O2/c1-4-5(2)8-6(3)7/h4-5H,1H2,2-3H3/t5-/m1/s1
InChIKeyLYWCPTCPTWCZSZ-RXMQYKEDSA-N
MW114.14 g/mol
LogP1.12
Rot. Bonds2

About [(2R)-but-3-en-2-yl] acetate

[(2R)-but-3-en-2-yl] acetate (PubChem CID 11378468) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is [(2R)-but-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-but-3-en-2-yl] acetate
PubChem CID11378468
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name[(2R)-but-3-en-2-yl] acetate
SMILESC=C[C@@H](C)OC(C)=O
InChIInChI=1S/C6H10O2/c1-4-5(2)8-6(3)7/h4-5H,1H2,2-3H3/t5-/m1/s1
InChIKeyLYWCPTCPTWCZSZ-RXMQYKEDSA-N
XLogP1.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E,2R,5R)-5-acetyloxyhex-3-en-2-yl] acetate
CID 166437845
4-hydroxypent-1-en-3-yl acetate
CID 130149697
but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid
CID 175587057
but-3-en-2-yl 2-acetylbut-2-enoate
CID 71427747
(4-acetyloxy-5-methylhex-1-en-3-yl) acetate
CID 123347745
[(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 12901919
but-3-en-2-yl ethyl carbonate
CID 11137281
4,4-dimethylpent-1-en-3-yl acetate
CID 12593030
[(3R)-pent-1-en-3-yl] acetate
CID 92859949
[(2R)-pent-4-en-2-yl] acetate
CID 11040717
but-3-en-2-yl undec-10-enoate
CID 141164752
[(3R,7S)-7-acetyloxynona-1,8-dien-3-yl] acetate
CID 92532320

Frequently Asked Questions

What is the IUPAC name of [(2R)-but-3-en-2-yl] acetate?
The IUPAC name of [(2R)-but-3-en-2-yl] acetate (CID 11378468) is [(2R)-but-3-en-2-yl] acetate.
What is the SMILES notation for [(2R)-but-3-en-2-yl] acetate?
The canonical SMILES for [(2R)-but-3-en-2-yl] acetate is C=C[C@@H](C)OC(C)=O.
What is the InChIKey of [(2R)-but-3-en-2-yl] acetate?
The InChIKey is LYWCPTCPTWCZSZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10O2/c1-4-5(2)8-6(3)7/h4-5H,1H2,2-3H3/t5-/m1/s1.
What are the key properties of [(2R)-but-3-en-2-yl] acetate?
[(2R)-but-3-en-2-yl] acetate has a molecular weight of 114.14 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-but-3-en-2-yl] acetate is sourced from PubChem (CID 11378468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).