2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol

C10H14O3 — CID 4670630

IUPAC2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol
SMILESC#CCOCOCC#CC(C)(C)O
InChIInChI=1S/C10H14O3/c1-4-7-12-9-13-8-5-6-10(2,3)11/h1,11H,7-9H2,2-3H3
InChIKeyVMPWTLWFJDTWRS-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.38
Rot. Bonds4

About 2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol

2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol (PubChem CID 4670630) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol.

Molecular Properties

Compound Name2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol
PubChem CID4670630
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol
SMILESC#CCOCOCC#CC(C)(C)O
InChIInChI=1S/C10H14O3/c1-4-7-12-9-13-8-5-6-10(2,3)11/h1,11H,7-9H2,2-3H3
InChIKeyVMPWTLWFJDTWRS-UHFFFAOYSA-N
XLogP0.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.38
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 2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol?
The IUPAC name of 2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol (CID 4670630) is 2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol.
What is the SMILES notation for 2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol?
The canonical SMILES for 2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol is C#CCOCOCC#CC(C)(C)O.
What is the InChIKey of 2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol?
The InChIKey is VMPWTLWFJDTWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-7-12-9-13-8-5-6-10(2,3)11/h1,11H,7-9H2,2-3H3.
What are the key properties of 2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol?
2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol has a molecular weight of 182.22 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(prop-2-ynoxymethoxy)pent-3-yn-2-ol is sourced from PubChem (CID 4670630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).