lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne

C10H17LiO — CID 10997330

IUPAClithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne
SMILES[C-]#CC(CCC)OC(C)(C)C.[Li+]
InChIInChI=1S/C10H17O.Li/c1-6-8-9(7-2)11-10(3,4)5;/h9H,6,8H2,1,3-5H3;/q-1;+1
InChIKeyAGYDNVNGGMYNGO-UHFFFAOYSA-N
MW160.19 g/mol
LogP-0.44
Rot. Bonds3

About lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne

lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne (PubChem CID 10997330) has the molecular formula C10H17LiO and a molecular weight of 160.19 g/mol. Its IUPAC name is lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne.

Molecular Properties

Compound Namelithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne
PubChem CID10997330
Molecular FormulaC10H17LiO
Molecular Weight160.19 g/mol
Exact Mass160.14
IUPAC Namelithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne
SMILES[C-]#CC(CCC)OC(C)(C)C.[Li+]
InChIInChI=1S/C10H17O.Li/c1-6-8-9(7-2)11-10(3,4)5;/h9H,6,8H2,1,3-5H3;/q-1;+1
InChIKeyAGYDNVNGGMYNGO-UHFFFAOYSA-N
XLogP-0.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 2-pentyl ether
CID 21654430
5-[(2-Methylpropan-2-yl)oxy]pent-2-yne
CID 57887491
1-[(2-Methylpropan-2-yl)oxy]hex-3-yne
CID 85975129
2-t-Butoxy-4-pentyne
CID 129802843
5-Decyne, 1-(1,1-dimethylethoxy)-
CID 638109
3-(1,1-Dimethylethoxy)-1-hexyne
CID 10997331
1-[(2-Methylpropan-2-yl)oxy]oct-3-yne
CID 85536045
(3S)-3-[(2-methylpropan-2-yl)oxy]pent-1-yne
CID 134890457
Dimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane
CID 134890676
3-Butoxy-3-methylbut-1-yne
CID 13794495
5-(Tert-butoxy)pent-1-yne
CID 14157601
6-[(2-Methylpropan-2-yl)oxy]hex-1-yne
CID 14185788

Frequently Asked Questions

What is the IUPAC name of lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne?
The IUPAC name of lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne (CID 10997330) is lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne.
What is the SMILES notation for lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne?
The canonical SMILES for lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne is [C-]#CC(CCC)OC(C)(C)C.[Li+].
What is the InChIKey of lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne?
The InChIKey is AGYDNVNGGMYNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O.Li/c1-6-8-9(7-2)11-10(3,4)5;/h9H,6,8H2,1,3-5H3;/q-1;+1.
What are the key properties of lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne?
lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne has a molecular weight of 160.19 g/mol, XLogP of -0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne is sourced from PubChem (CID 10997330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).