(E)-6-methoxyhex-2-en-4-yn-1-ol

C7H10O2 — CID 12608749

IUPAC(E)-6-methoxyhex-2-en-4-yn-1-ol
SMILESCOCC#C/C=C/CO
InChIInChI=1S/C7H10O2/c1-9-7-5-3-2-4-6-8/h2,4,8H,6-7H2,1H3/b4-2+
InChIKeyIYYDZUWIJVVAQU-DUXPYHPUSA-N
MW126.15 g/mol
LogP0.18
Rot. Bonds2

About (E)-6-methoxyhex-2-en-4-yn-1-ol

(E)-6-methoxyhex-2-en-4-yn-1-ol (PubChem CID 12608749) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (E)-6-methoxyhex-2-en-4-yn-1-ol.

Molecular Properties

Compound Name(E)-6-methoxyhex-2-en-4-yn-1-ol
PubChem CID12608749
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(E)-6-methoxyhex-2-en-4-yn-1-ol
SMILESCOCC#C/C=C/CO
InChIInChI=1S/C7H10O2/c1-9-7-5-3-2-4-6-8/h2,4,8H,6-7H2,1H3/b4-2+
InChIKeyIYYDZUWIJVVAQU-DUXPYHPUSA-N
XLogP0.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-2-Butene-1,4-diol
CID 175854
trans-Crotyl alcohol
CID 637922
(2Z)-2-Buten-1-ol
CID 643789
2-Butene-1,4-diol
CID 8065
2-Buten-1-ol
CID 20024
2-Butene-1,4-diol, (2Z)-
CID 643790
(Z)-2-Decene-4,6,8-triyn-1-ol
CID 6365178
(E)-2-Tridecene-4,6,8-triyn-1-ol
CID 101412523
trans-Lachnophyllol
CID 5318913
Dec-2-en-4,6-diyn-1-ol
CID 185531
2-Hexen-4-yn-1-ol
CID 556836
(2E,8E)-deca-2,8-dien-4,6-diyn-1-ol
CID 6365121

Frequently Asked Questions

What is the IUPAC name of (E)-6-methoxyhex-2-en-4-yn-1-ol?
The IUPAC name of (E)-6-methoxyhex-2-en-4-yn-1-ol (CID 12608749) is (E)-6-methoxyhex-2-en-4-yn-1-ol.
What is the SMILES notation for (E)-6-methoxyhex-2-en-4-yn-1-ol?
The canonical SMILES for (E)-6-methoxyhex-2-en-4-yn-1-ol is COCC#C/C=C/CO.
What is the InChIKey of (E)-6-methoxyhex-2-en-4-yn-1-ol?
The InChIKey is IYYDZUWIJVVAQU-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H10O2/c1-9-7-5-3-2-4-6-8/h2,4,8H,6-7H2,1H3/b4-2+.
What are the key properties of (E)-6-methoxyhex-2-en-4-yn-1-ol?
(E)-6-methoxyhex-2-en-4-yn-1-ol has a molecular weight of 126.15 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methoxyhex-2-en-4-yn-1-ol is sourced from PubChem (CID 12608749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).