[(2R)-hex-5-en-2-yl] acetate

C8H14O2 — CID 46237776

IUPAC[(2R)-hex-5-en-2-yl] acetate
SMILESC=CCC[C@@H](C)OC(C)=O
InChIInChI=1S/C8H14O2/c1-4-5-6-7(2)10-8(3)9/h4,7H,1,5-6H2,2-3H3/t7-/m1/s1
InChIKeyISMIQCAPKLDYAX-SSDOTTSWSA-N
MW142.20 g/mol
LogP1.90
Rot. Bonds4

About [(2R)-hex-5-en-2-yl] acetate

[(2R)-hex-5-en-2-yl] acetate (PubChem CID 46237776) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is [(2R)-hex-5-en-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-hex-5-en-2-yl] acetate
PubChem CID46237776
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name[(2R)-hex-5-en-2-yl] acetate
SMILESC=CCC[C@@H](C)OC(C)=O
InChIInChI=1S/C8H14O2/c1-4-5-6-7(2)10-8(3)9/h4,7H,1,5-6H2,2-3H3/t7-/m1/s1
InChIKeyISMIQCAPKLDYAX-SSDOTTSWSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.90
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

4-Pentenyl acetate
CID 74096
Ethyl 5-hexenoate
CID 6420258
1-Hexen-3-ol, 3-acetate
CID 118262
5-Hexenyl Acetate
CID 537536
4-Pentenoic acid isopropyl ester
CID 143866
3,4-Dihydro-2h-pyran-2-ylmethyl acetate
CID 228126
4-Pentenyl propionate
CID 523733
3-Cyclohexen-1-yl acetate
CID 538056
5-Hexenyl butyrate
CID 551419
1,5-Hexadien-3-ol, acetate
CID 12708949
4-Penten-2-ol, acetate
CID 527603
1-Vinylpentyl acetate
CID 3015819

Frequently Asked Questions

What is the IUPAC name of [(2R)-hex-5-en-2-yl] acetate?
The IUPAC name of [(2R)-hex-5-en-2-yl] acetate (CID 46237776) is [(2R)-hex-5-en-2-yl] acetate.
What is the SMILES notation for [(2R)-hex-5-en-2-yl] acetate?
The canonical SMILES for [(2R)-hex-5-en-2-yl] acetate is C=CCC[C@@H](C)OC(C)=O.
What is the InChIKey of [(2R)-hex-5-en-2-yl] acetate?
The InChIKey is ISMIQCAPKLDYAX-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-5-6-7(2)10-8(3)9/h4,7H,1,5-6H2,2-3H3/t7-/m1/s1.
What are the key properties of [(2R)-hex-5-en-2-yl] acetate?
[(2R)-hex-5-en-2-yl] acetate has a molecular weight of 142.20 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-hex-5-en-2-yl] acetate is sourced from PubChem (CID 46237776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).