2,4-dimethyl-2-prop-2-ynoxypentane

C10H18O — CID 22952862

IUPAC2,4-dimethyl-2-prop-2-ynoxypentane
SMILESC#CCOC(C)(C)CC(C)C
InChIInChI=1S/C10H18O/c1-6-7-11-10(4,5)8-9(2)3/h1,9H,7-8H2,2-5H3
InChIKeyWGYKSIWNTQDZDZ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.46
Rot. Bonds4

About 2,4-dimethyl-2-prop-2-ynoxypentane

2,4-dimethyl-2-prop-2-ynoxypentane (PubChem CID 22952862) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,4-dimethyl-2-prop-2-ynoxypentane.

Molecular Properties

Compound Name2,4-dimethyl-2-prop-2-ynoxypentane
PubChem CID22952862
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,4-dimethyl-2-prop-2-ynoxypentane
SMILESC#CCOC(C)(C)CC(C)C
InChIInChI=1S/C10H18O/c1-6-7-11-10(4,5)8-9(2)3/h1,9H,7-8H2,2-5H3
InChIKeyWGYKSIWNTQDZDZ-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Ethoxy-2-methylpentane
CID 22000984
1-Heptyne, 3-ethoxy-3,4-dimethyl-
CID 566237
Methyl-isobutyl-ather
CID 19768872
2-Methyl 2-butoxypentane
CID 90688023
1-Hexyne, 3-ethoxy-3,4-dimethyl-
CID 550222
3-Methoxy-3,5-dimethylhex-1-yne
CID 15215558
3-Butoxy-3-methylpent-1-yne
CID 15390571
2-Methyl-2-(2-methylpropoxy)pentane
CID 21057549
2-Methyl-2-propoxypentane
CID 22000983
4-Methyl-1-(2-methylbutan-2-yloxy)pentane
CID 22151643
4-Methyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 22151667
2,3-Dimethyl-2-prop-2-ynoxybutane
CID 57184509

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-prop-2-ynoxypentane?
The IUPAC name of 2,4-dimethyl-2-prop-2-ynoxypentane (CID 22952862) is 2,4-dimethyl-2-prop-2-ynoxypentane.
What is the SMILES notation for 2,4-dimethyl-2-prop-2-ynoxypentane?
The canonical SMILES for 2,4-dimethyl-2-prop-2-ynoxypentane is C#CCOC(C)(C)CC(C)C.
What is the InChIKey of 2,4-dimethyl-2-prop-2-ynoxypentane?
The InChIKey is WGYKSIWNTQDZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-6-7-11-10(4,5)8-9(2)3/h1,9H,7-8H2,2-5H3.
What are the key properties of 2,4-dimethyl-2-prop-2-ynoxypentane?
2,4-dimethyl-2-prop-2-ynoxypentane has a molecular weight of 154.25 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-prop-2-ynoxypentane is sourced from PubChem (CID 22952862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).