(Z,2R)-2-but-2-ynoxyhex-3-ene

C10H16O — CID 118517771

IUPAC(Z,2R)-2-but-2-ynoxyhex-3-ene
SMILESCC#CCO[C@H](C)/C=C\CC
InChIInChI=1S/C10H16O/c1-4-6-8-10(3)11-9-7-5-2/h6,8,10H,4,9H2,1-3H3/b8-6-/t10-/m1/s1
InChIKeyMPSOEMIHDFCXMZ-BJPMOSCESA-N
MW152.24 g/mol
LogP2.38
Rot. Bonds4

About (Z,2R)-2-but-2-ynoxyhex-3-ene

(Z,2R)-2-but-2-ynoxyhex-3-ene (PubChem CID 118517771) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z,2R)-2-but-2-ynoxyhex-3-ene.

Molecular Properties

Compound Name(Z,2R)-2-but-2-ynoxyhex-3-ene
PubChem CID118517771
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(Z,2R)-2-but-2-ynoxyhex-3-ene
SMILESCC#CCO[C@H](C)/C=C\CC
InChIInChI=1S/C10H16O/c1-4-6-8-10(3)11-9-7-5-2/h6,8,10H,4,9H2,1-3H3/b8-6-/t10-/m1/s1
InChIKeyMPSOEMIHDFCXMZ-BJPMOSCESA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2-but-2-ynoxyhex-3-ene?
The IUPAC name of (Z,2R)-2-but-2-ynoxyhex-3-ene (CID 118517771) is (Z,2R)-2-but-2-ynoxyhex-3-ene.
What is the SMILES notation for (Z,2R)-2-but-2-ynoxyhex-3-ene?
The canonical SMILES for (Z,2R)-2-but-2-ynoxyhex-3-ene is CC#CCO[C@H](C)/C=C\CC.
What is the InChIKey of (Z,2R)-2-but-2-ynoxyhex-3-ene?
The InChIKey is MPSOEMIHDFCXMZ-BJPMOSCESA-N. The full InChI is InChI=1S/C10H16O/c1-4-6-8-10(3)11-9-7-5-2/h6,8,10H,4,9H2,1-3H3/b8-6-/t10-/m1/s1.
What are the key properties of (Z,2R)-2-but-2-ynoxyhex-3-ene?
(Z,2R)-2-but-2-ynoxyhex-3-ene has a molecular weight of 152.24 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-but-2-ynoxyhex-3-ene is sourced from PubChem (CID 118517771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).