(2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol

C9H18O2 — CID 58260802

IUPAC(2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol
SMILESC=CCC(CC)[C@@H](O)COC
InChIInChI=1S/C9H18O2/c1-4-6-8(5-2)9(10)7-11-3/h4,8-10H,1,5-7H2,2-3H3/t8?,9-/m0/s1
InChIKeyATPUAEUMOYKZLC-GKAPJAKFSA-N
MW158.24 g/mol
LogP1.60
Rot. Bonds6

About (2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol

(2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol (PubChem CID 58260802) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol
PubChem CID58260802
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol
SMILESC=CCC(CC)[C@@H](O)COC
InChIInChI=1S/C9H18O2/c1-4-6-8(5-2)9(10)7-11-3/h4,8-10H,1,5-7H2,2-3H3/t8?,9-/m0/s1
InChIKeyATPUAEUMOYKZLC-GKAPJAKFSA-N
XLogP1.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol?
The IUPAC name of (2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol (CID 58260802) is (2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol.
What is the SMILES notation for (2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol?
The canonical SMILES for (2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol is C=CCC(CC)[C@@H](O)COC.
What is the InChIKey of (2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol?
The InChIKey is ATPUAEUMOYKZLC-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-6-8(5-2)9(10)7-11-3/h4,8-10H,1,5-7H2,2-3H3/t8?,9-/m0/s1.
What are the key properties of (2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol?
(2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol has a molecular weight of 158.24 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-ethyl-1-methoxyhex-5-en-2-ol is sourced from PubChem (CID 58260802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).