lithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane

C13H22LiO+ — CID 162289523

IUPAClithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane
SMILESCCC.COC1CCC2C=CC=CC21.[Li+]
InChIInChI=1S/C10H14O.C3H8.Li/c1-11-10-7-6-8-4-2-3-5-9(8)10;1-3-2;/h2-5,8-10H,6-7H2,1H3;3H2,1-2H3;/q;;+1
InChIKeyRSDSNYPJDFSTQE-UHFFFAOYSA-N
MW201.26 g/mol
LogP0.57
Rot. Bonds1

About lithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane

lithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane (PubChem CID 162289523) has the molecular formula C13H22LiO+ and a molecular weight of 201.26 g/mol. Its IUPAC name is lithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane.

Molecular Properties

Compound Namelithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane
PubChem CID162289523
Molecular FormulaC13H22LiO+
Molecular Weight201.26 g/mol
Exact Mass201.18
IUPAC Namelithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane
SMILESCCC.COC1CCC2C=CC=CC21.[Li+]
InChIInChI=1S/C10H14O.C3H8.Li/c1-11-10-7-6-8-4-2-3-5-9(8)10;1-3-2;/h2-5,8-10H,6-7H2,1H3;3H2,1-2H3;/q;;+1
InChIKeyRSDSNYPJDFSTQE-UHFFFAOYSA-N
XLogP0.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2,3,3a,7a-tetrahydro-1H-inden-1-yloxy(dimethyl)silyl]-2-methylpropan-2-amine
CID 72519678
1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene
CID 58048969
1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+)
CID 23229330
2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)phosphane
CID 59930608
[[(1R)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-dimethylsilyl]-tert-butylazanide;carbanide;dichlorotitanium
CID 59110802
3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pentan-1-ol
CID 18622622
(1R,7aR)-1-[(4-ethyl-2,3,5,6-tetrafluorophenyl)methyl]-2,3,3a,7a-tetrahydro-1H-indene
CID 176591706
1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-1-propylsiletane
CID 18512859
[3,3-bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-5-triethylsilyloxypentoxy]-triethylsilane;zirconium(2+);dichloride
CID 18622729
[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-(2-methoxyethyl)azanide;dichlorozirconium(2+)
CID 23229521
[(1R,2R)-2-methoxycyclobutyl]methanethiol
CID 155820893
1,2,3,4,4a,8a-hexahydronaphthalene;methanamine
CID 143180898

Frequently Asked Questions

What is the IUPAC name of lithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane?
The IUPAC name of lithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane (CID 162289523) is lithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane.
What is the SMILES notation for lithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane?
The canonical SMILES for lithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane is CCC.COC1CCC2C=CC=CC21.[Li+].
What is the InChIKey of lithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane?
The InChIKey is RSDSNYPJDFSTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C3H8.Li/c1-11-10-7-6-8-4-2-3-5-9(8)10;1-3-2;/h2-5,8-10H,6-7H2,1H3;3H2,1-2H3;/q;;+1.
What are the key properties of lithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane?
lithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane has a molecular weight of 201.26 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane is sourced from PubChem (CID 162289523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).