(Z)-3-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol

C12H20O3 — CID 14946510

IUPAC(Z)-3-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol
SMILESCCCC/C(C#CCOCOC)=C/CO
InChIInChI=1S/C12H20O3/c1-3-4-6-12(8-9-13)7-5-10-15-11-14-2/h8,13H,3-4,6,9-11H2,1-2H3/b12-8-
InChIKeyUGCZKLHHSKMLSV-WQLSENKSSA-N
MW212.29 g/mol
LogP1.72
Rot. Bonds7

About (Z)-3-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol

(Z)-3-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol (PubChem CID 14946510) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (Z)-3-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol
PubChem CID14946510
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(Z)-3-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol
SMILESCCCC/C(C#CCOCOC)=C/CO
InChIInChI=1S/C12H20O3/c1-3-4-6-12(8-9-13)7-5-10-15-11-14-2/h8,13H,3-4,6,9-11H2,1-2H3/b12-8-
InChIKeyUGCZKLHHSKMLSV-WQLSENKSSA-N
XLogP1.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.72
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)-3-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol?
The IUPAC name of (Z)-3-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol (CID 14946510) is (Z)-3-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol.
What is the SMILES notation for (Z)-3-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol?
The canonical SMILES for (Z)-3-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol is CCCC/C(C#CCOCOC)=C/CO.
What is the InChIKey of (Z)-3-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol?
The InChIKey is UGCZKLHHSKMLSV-WQLSENKSSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-4-6-12(8-9-13)7-5-10-15-11-14-2/h8,13H,3-4,6,9-11H2,1-2H3/b12-8-.
What are the key properties of (Z)-3-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol?
(Z)-3-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol has a molecular weight of 212.29 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol is sourced from PubChem (CID 14946510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).