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

C12H20O3 — CID 14946477

IUPAC(Z)-2-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol
SMILESCCCC/C=C(/C#CCOCOC)CO
InChIInChI=1S/C12H20O3/c1-3-4-5-7-12(10-13)8-6-9-15-11-14-2/h7,13H,3-5,9-11H2,1-2H3/b12-7-
InChIKeyBLEBIMNBBUVFGI-GHXNOFRVSA-N
MW212.29 g/mol
LogP1.72
Rot. Bonds7

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

(Z)-2-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol (PubChem CID 14946477) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (Z)-2-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol
PubChem CID14946477
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(Z)-2-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol
SMILESCCCC/C=C(/C#CCOCOC)CO
InChIInChI=1S/C12H20O3/c1-3-4-5-7-12(10-13)8-6-9-15-11-14-2/h7,13H,3-5,9-11H2,1-2H3/b12-7-
InChIKeyBLEBIMNBBUVFGI-GHXNOFRVSA-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)-2-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol?
The IUPAC name of (Z)-2-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol (CID 14946477) is (Z)-2-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol.
What is the SMILES notation for (Z)-2-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol?
The canonical SMILES for (Z)-2-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol is CCCC/C=C(/C#CCOCOC)CO.
What is the InChIKey of (Z)-2-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol?
The InChIKey is BLEBIMNBBUVFGI-GHXNOFRVSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-4-5-7-12(10-13)8-6-9-15-11-14-2/h7,13H,3-5,9-11H2,1-2H3/b12-7-.
What are the key properties of (Z)-2-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol?
(Z)-2-[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)-2-[3-(methoxymethoxy)prop-1-ynyl]hept-2-en-1-ol is sourced from PubChem (CID 14946477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).