lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide

C26H31LiO6 — CID 159329974

IUPAClithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide
SMILESCC1(c2ccc3c(c2)CCCO3)CC1.O=C=O.OC1(c2ccc3c(c2)CCCO3)CC1.[Li+].[OH-]
InChIInChI=1S/C13H16O.C12H14O2.CO2.Li.H2O/c1-13(6-7-13)11-4-5-12-10(9-11)3-2-8-14-12;13-12(5-6-12)10-3-4-11-9(8-10)2-1-7-14-11;2-1-3;;/h4-5,9H,2-3,6-8H2,1H3;3-4,8,13H,1-2,5-7H2;;;1H2/q;;;+1;/p-1
InChIKeyLEVUSXPWTQIXQG-UHFFFAOYSA-M
MW446.47 g/mol
LogP1.30
Rot. Bonds2

About lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide

lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide (PubChem CID 159329974) has the molecular formula C26H31LiO6 and a molecular weight of 446.47 g/mol. Its IUPAC name is lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide.

Molecular Properties

Compound Namelithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide
PubChem CID159329974
Molecular FormulaC26H31LiO6
Molecular Weight446.47 g/mol
Exact Mass446.23
IUPAC Namelithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide
SMILESCC1(c2ccc3c(c2)CCCO3)CC1.O=C=O.OC1(c2ccc3c(c2)CCCO3)CC1.[Li+].[OH-]
InChIInChI=1S/C13H16O.C12H14O2.CO2.Li.H2O/c1-13(6-7-13)11-4-5-12-10(9-11)3-2-8-14-12;13-12(5-6-12)10-3-4-11-9(8-10)2-1-7-14-11;2-1-3;;/h4-5,9H,2-3,6-8H2,1H3;3-4,8,13H,1-2,5-7H2;;;1H2/q;;;+1;/p-1
InChIKeyLEVUSXPWTQIXQG-UHFFFAOYSA-M
XLogP1.30
TPSA102.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide 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

1-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 104542080
lithium;tetrakis(carbon dioxide);[1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate;methane;bis(6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene);bis(6-(1-methylcyclopropyl)-2,3-dihydrochromen-4-one);hydroxide
CID 158556715
6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene
CID 82468795
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol
CID 103564717
1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847341
[1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate
CID 59636910
2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid
CID 116872070
3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol
CID 106828329
3,7-bis(3,4-dihydro-2H-chromene-6-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 142768959
1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide
CID 116844327
1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol
CID 113425025
3,4-dihydro-2H-chromene-6-sulfonic acid
CID 22471808

Frequently Asked Questions

What is the IUPAC name of lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide?
The IUPAC name of lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide (CID 159329974) is lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide.
What is the SMILES notation for lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide?
The canonical SMILES for lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide is CC1(c2ccc3c(c2)CCCO3)CC1.O=C=O.OC1(c2ccc3c(c2)CCCO3)CC1.[Li+].[OH-].
What is the InChIKey of lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide?
The InChIKey is LEVUSXPWTQIXQG-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16O.C12H14O2.CO2.Li.H2O/c1-13(6-7-13)11-4-5-12-10(9-11)3-2-8-14-12;13-12(5-6-12)10-3-4-11-9(8-10)2-1-7-14-11;2-1-3;;/h4-5,9H,2-3,6-8H2,1H3;3-4,8,13H,1-2,5-7H2;;;1H2/q;;;+1;/p-1.
What are the key properties of lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide?
lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide has a molecular weight of 446.47 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide is sourced from PubChem (CID 159329974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).