3-methyl-1-(2-prop-2-ynoxyethoxy)butane

C10H18O2 — CID 89197409

IUPAC3-methyl-1-(2-prop-2-ynoxyethoxy)butane
SMILESC#CCOCCOCCC(C)C
InChIInChI=1S/C10H18O2/c1-4-6-11-8-9-12-7-5-10(2)3/h1,10H,5-9H2,2-3H3
InChIKeyKXZOYIDSLQXGKM-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.70
Rot. Bonds7

About 3-methyl-1-(2-prop-2-ynoxyethoxy)butane

3-methyl-1-(2-prop-2-ynoxyethoxy)butane (PubChem CID 89197409) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-methyl-1-(2-prop-2-ynoxyethoxy)butane.

Molecular Properties

Compound Name3-methyl-1-(2-prop-2-ynoxyethoxy)butane
PubChem CID89197409
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-methyl-1-(2-prop-2-ynoxyethoxy)butane
SMILESC#CCOCCOCCC(C)C
InChIInChI=1S/C10H18O2/c1-4-6-11-8-9-12-7-5-10(2)3/h1,10H,5-9H2,2-3H3
InChIKeyKXZOYIDSLQXGKM-UHFFFAOYSA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Ethoxyethoxy)-3-methylbutane
CID 83466
1,2-Bis(3-methylbutoxy)ethane
CID 19105354
1-Ethoxy-2-(2-methylbutoxy)ethane
CID 57802127
3-(2-(2-Ethoxyethoxy)ethoxy)-1-propyne
CID 71325328
3-Methyl-1-prop-2-ynoxybutane
CID 87948706
2,2-Difluoro-3-methyl-1-(2-prop-2-ynoxyethoxy)butane
CID 154587164
1-(2-But-2-ynoxyethoxy)-3-methylbutane
CID 167156674
1-[2-(2-Methoxyethoxy)ethoxy]-3-methylbutane
CID 20679211
1-(2-Methoxyethoxy)-3-methylbutane
CID 20679212
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]-3-methylbutane
CID 20871491
1,2-Dimethoxyethane;3-methyl-1-(3-methylbutoxy)butane
CID 21651136
1-[2-(2-Methylpropoxy)ethoxy]butane
CID 22002936

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-prop-2-ynoxyethoxy)butane?
The IUPAC name of 3-methyl-1-(2-prop-2-ynoxyethoxy)butane (CID 89197409) is 3-methyl-1-(2-prop-2-ynoxyethoxy)butane.
What is the SMILES notation for 3-methyl-1-(2-prop-2-ynoxyethoxy)butane?
The canonical SMILES for 3-methyl-1-(2-prop-2-ynoxyethoxy)butane is C#CCOCCOCCC(C)C.
What is the InChIKey of 3-methyl-1-(2-prop-2-ynoxyethoxy)butane?
The InChIKey is KXZOYIDSLQXGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-6-11-8-9-12-7-5-10(2)3/h1,10H,5-9H2,2-3H3.
What are the key properties of 3-methyl-1-(2-prop-2-ynoxyethoxy)butane?
3-methyl-1-(2-prop-2-ynoxyethoxy)butane has a molecular weight of 170.25 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-prop-2-ynoxyethoxy)butane is sourced from PubChem (CID 89197409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).