[(E,2R)-5-methylhex-3-en-2-yl] acetate

C9H16O2 — CID 11344145

IUPAC[(E,2R)-5-methylhex-3-en-2-yl] acetate
SMILESCC(=O)O[C@H](C)/C=C/C(C)C
InChIInChI=1S/C9H16O2/c1-7(2)5-6-8(3)11-9(4)10/h5-8H,1-4H3/b6-5+/t8-/m1/s1
InChIKeyWWXPOTDIMUXOAQ-HQZHTGGTSA-N
MW156.22 g/mol
LogP2.15
Rot. Bonds3

About [(E,2R)-5-methylhex-3-en-2-yl] acetate

[(E,2R)-5-methylhex-3-en-2-yl] acetate (PubChem CID 11344145) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(E,2R)-5-methylhex-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(E,2R)-5-methylhex-3-en-2-yl] acetate
PubChem CID11344145
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(E,2R)-5-methylhex-3-en-2-yl] acetate
SMILESCC(=O)O[C@H](C)/C=C/C(C)C
InChIInChI=1S/C9H16O2/c1-7(2)5-6-8(3)11-9(4)10/h5-8H,1-4H3/b6-5+/t8-/m1/s1
InChIKeyWWXPOTDIMUXOAQ-HQZHTGGTSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.15
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

2-Hexenyl acetate, (2E)-
CID 2733294
2-Hexenyl propionate, (2E)-
CID 5352463
Neryl isobutyrate
CID 5365991
2-Heptenyl acetate, (2E)-
CID 5363203
Geranyl isobutyrate
CID 6086514
Nonadienyl acetate, (2E,6Z)-
CID 5363120
2-Hexenyl 2-methylbutyrate, (2E)-
CID 5352459
2-Hexenyl isovalerate (2E)-
CID 5352460
4,8-Dimethyl-3,7-nonadien-2-ol acetate
CID 5365819
2-Hexen-1-ol, 1-acetate
CID 17243
2,7-Octadien-1-ol, acetate
CID 5363376
Hexenyl acetate, (2Z)-
CID 5363374

Frequently Asked Questions

What is the IUPAC name of [(E,2R)-5-methylhex-3-en-2-yl] acetate?
The IUPAC name of [(E,2R)-5-methylhex-3-en-2-yl] acetate (CID 11344145) is [(E,2R)-5-methylhex-3-en-2-yl] acetate.
What is the SMILES notation for [(E,2R)-5-methylhex-3-en-2-yl] acetate?
The canonical SMILES for [(E,2R)-5-methylhex-3-en-2-yl] acetate is CC(=O)O[C@H](C)/C=C/C(C)C.
What is the InChIKey of [(E,2R)-5-methylhex-3-en-2-yl] acetate?
The InChIKey is WWXPOTDIMUXOAQ-HQZHTGGTSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)5-6-8(3)11-9(4)10/h5-8H,1-4H3/b6-5+/t8-/m1/s1.
What are the key properties of [(E,2R)-5-methylhex-3-en-2-yl] acetate?
[(E,2R)-5-methylhex-3-en-2-yl] acetate has a molecular weight of 156.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R)-5-methylhex-3-en-2-yl] acetate is sourced from PubChem (CID 11344145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).