(Z)-8-(methoxymethoxy)-2-methyloct-2-en-4-yn-1-ol

C11H18O3 — CID 14946484

IUPAC(Z)-8-(methoxymethoxy)-2-methyloct-2-en-4-yn-1-ol
SMILESCOCOCCCC#C/C=C(/C)CO
InChIInChI=1S/C11H18O3/c1-11(9-12)7-5-3-4-6-8-14-10-13-2/h7,12H,4,6,8-10H2,1-2H3/b11-7-
InChIKeyNFESJYCZHXFZIF-XFFZJAGNSA-N
MW198.26 g/mol
LogP1.33
Rot. Bonds6

About (Z)-8-(methoxymethoxy)-2-methyloct-2-en-4-yn-1-ol

(Z)-8-(methoxymethoxy)-2-methyloct-2-en-4-yn-1-ol (PubChem CID 14946484) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (Z)-8-(methoxymethoxy)-2-methyloct-2-en-4-yn-1-ol.

Molecular Properties

Compound Name(Z)-8-(methoxymethoxy)-2-methyloct-2-en-4-yn-1-ol
PubChem CID14946484
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(Z)-8-(methoxymethoxy)-2-methyloct-2-en-4-yn-1-ol
SMILESCOCOCCCC#C/C=C(/C)CO
InChIInChI=1S/C11H18O3/c1-11(9-12)7-5-3-4-6-8-14-10-13-2/h7,12H,4,6,8-10H2,1-2H3/b11-7-
InChIKeyNFESJYCZHXFZIF-XFFZJAGNSA-N
XLogP1.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-8-(methoxymethoxy)-2-methyloct-2-en-4-yn-1-ol?
The IUPAC name of (Z)-8-(methoxymethoxy)-2-methyloct-2-en-4-yn-1-ol (CID 14946484) is (Z)-8-(methoxymethoxy)-2-methyloct-2-en-4-yn-1-ol.
What is the SMILES notation for (Z)-8-(methoxymethoxy)-2-methyloct-2-en-4-yn-1-ol?
The canonical SMILES for (Z)-8-(methoxymethoxy)-2-methyloct-2-en-4-yn-1-ol is COCOCCCC#C/C=C(/C)CO.
What is the InChIKey of (Z)-8-(methoxymethoxy)-2-methyloct-2-en-4-yn-1-ol?
The InChIKey is NFESJYCZHXFZIF-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H18O3/c1-11(9-12)7-5-3-4-6-8-14-10-13-2/h7,12H,4,6,8-10H2,1-2H3/b11-7-.
What are the key properties of (Z)-8-(methoxymethoxy)-2-methyloct-2-en-4-yn-1-ol?
(Z)-8-(methoxymethoxy)-2-methyloct-2-en-4-yn-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-(methoxymethoxy)-2-methyloct-2-en-4-yn-1-ol is sourced from PubChem (CID 14946484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).