(Z)-11-(methoxymethoxy)-5-methylundec-4-en-6-yn-3-ol

C14H24O3 — CID 14946500

IUPAC(Z)-11-(methoxymethoxy)-5-methylundec-4-en-6-yn-3-ol
SMILESCCC(O)/C=C(/C)C#CCCCCOCOC
InChIInChI=1S/C14H24O3/c1-4-14(15)11-13(2)9-7-5-6-8-10-17-12-16-3/h11,14-15H,4-6,8,10,12H2,1-3H3/b13-11-
InChIKeyYJDLZXFWXKRMOI-QBFSEMIESA-N
MW240.34 g/mol
LogP2.50
Rot. Bonds8

About (Z)-11-(methoxymethoxy)-5-methylundec-4-en-6-yn-3-ol

(Z)-11-(methoxymethoxy)-5-methylundec-4-en-6-yn-3-ol (PubChem CID 14946500) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (Z)-11-(methoxymethoxy)-5-methylundec-4-en-6-yn-3-ol.

Molecular Properties

Compound Name(Z)-11-(methoxymethoxy)-5-methylundec-4-en-6-yn-3-ol
PubChem CID14946500
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(Z)-11-(methoxymethoxy)-5-methylundec-4-en-6-yn-3-ol
SMILESCCC(O)/C=C(/C)C#CCCCCOCOC
InChIInChI=1S/C14H24O3/c1-4-14(15)11-13(2)9-7-5-6-8-10-17-12-16-3/h11,14-15H,4-6,8,10,12H2,1-3H3/b13-11-
InChIKeyYJDLZXFWXKRMOI-QBFSEMIESA-N
XLogP2.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.50
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)-11-(methoxymethoxy)-5-methylundec-4-en-6-yn-3-ol?
The IUPAC name of (Z)-11-(methoxymethoxy)-5-methylundec-4-en-6-yn-3-ol (CID 14946500) is (Z)-11-(methoxymethoxy)-5-methylundec-4-en-6-yn-3-ol.
What is the SMILES notation for (Z)-11-(methoxymethoxy)-5-methylundec-4-en-6-yn-3-ol?
The canonical SMILES for (Z)-11-(methoxymethoxy)-5-methylundec-4-en-6-yn-3-ol is CCC(O)/C=C(/C)C#CCCCCOCOC.
What is the InChIKey of (Z)-11-(methoxymethoxy)-5-methylundec-4-en-6-yn-3-ol?
The InChIKey is YJDLZXFWXKRMOI-QBFSEMIESA-N. The full InChI is InChI=1S/C14H24O3/c1-4-14(15)11-13(2)9-7-5-6-8-10-17-12-16-3/h11,14-15H,4-6,8,10,12H2,1-3H3/b13-11-.
What are the key properties of (Z)-11-(methoxymethoxy)-5-methylundec-4-en-6-yn-3-ol?
(Z)-11-(methoxymethoxy)-5-methylundec-4-en-6-yn-3-ol has a molecular weight of 240.34 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-11-(methoxymethoxy)-5-methylundec-4-en-6-yn-3-ol is sourced from PubChem (CID 14946500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).