2,4-dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane

C17H32O3 — CID 123705286

IUPAC2,4-dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane
SMILESC#CCOCCOC(C)(C)CCOC(C)(C)CC(C)C
InChIInChI=1S/C17H32O3/c1-8-10-18-12-13-20-16(4,5)9-11-19-17(6,7)14-15(2)3/h1,15H,9-14H2,2-7H3
InChIKeyFVUXDKGISODVRQ-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.66
Rot. Bonds11

About 2,4-dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane

2,4-dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane (PubChem CID 123705286) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2,4-dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane.

Molecular Properties

Compound Name2,4-dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane
PubChem CID123705286
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name2,4-dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane
SMILESC#CCOCCOC(C)(C)CCOC(C)(C)CC(C)C
InChIInChI=1S/C17H32O3/c1-8-10-18-12-13-20-16(4,5)9-11-19-17(6,7)14-15(2)3/h1,15H,9-14H2,2-7H3
InChIKeyFVUXDKGISODVRQ-UHFFFAOYSA-N
XLogP3.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane?
The IUPAC name of 2,4-dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane (CID 123705286) is 2,4-dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane.
What is the SMILES notation for 2,4-dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane?
The canonical SMILES for 2,4-dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane is C#CCOCCOC(C)(C)CCOC(C)(C)CC(C)C.
What is the InChIKey of 2,4-dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane?
The InChIKey is FVUXDKGISODVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-8-10-18-12-13-20-16(4,5)9-11-19-17(6,7)14-15(2)3/h1,15H,9-14H2,2-7H3.
What are the key properties of 2,4-dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane?
2,4-dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane has a molecular weight of 284.44 g/mol, XLogP of 3.66, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-[3-methyl-3-(2-prop-2-ynoxyethoxy)butoxy]pentane is sourced from PubChem (CID 123705286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).