calcium;hydride;undecan-1-ol

C11H26CaO — CID 174734394

IUPACcalcium;hydride;undecan-1-ol
SMILESCCCCCCCCCCCO.[Ca+2].[H-].[H-]
InChIInChI=1S/C11H24O.Ca.2H/c1-2-3-4-5-6-7-8-9-10-11-12;;;/h12H,2-11H2,1H3;;;/q;+2;2*-1
InChIKeyVQRVIPQNAZHQFG-UHFFFAOYSA-N
MW214.41 g/mol
LogP3.35
Rot. Bonds9

About calcium;hydride;undecan-1-ol

calcium;hydride;undecan-1-ol (PubChem CID 174734394) has the molecular formula C11H26CaO and a molecular weight of 214.41 g/mol. Its IUPAC name is calcium;hydride;undecan-1-ol.

Molecular Properties

Compound Namecalcium;hydride;undecan-1-ol
PubChem CID174734394
Molecular FormulaC11H26CaO
Molecular Weight214.41 g/mol
Exact Mass214.16
IUPAC Namecalcium;hydride;undecan-1-ol
SMILESCCCCCCCCCCCO.[Ca+2].[H-].[H-]
InChIInChI=1S/C11H24O.Ca.2H/c1-2-3-4-5-6-7-8-9-10-11-12;;;/h12H,2-11H2,1H3;;;/q;+2;2*-1
InChIKeyVQRVIPQNAZHQFG-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

calcium;dodecan-1-ol;hydride
CID 173099575
magnesium;hexan-1-ol;hydride
CID 173424327
sodium;dodecan-1-ol;hydride
CID 173039865
magnesium;heptan-1-ol;hydride
CID 174154950
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
undecan-1-ol
CID 122455065

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;undecan-1-ol?
The IUPAC name of calcium;hydride;undecan-1-ol (CID 174734394) is calcium;hydride;undecan-1-ol.
What is the SMILES notation for calcium;hydride;undecan-1-ol?
The canonical SMILES for calcium;hydride;undecan-1-ol is CCCCCCCCCCCO.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;undecan-1-ol?
The InChIKey is VQRVIPQNAZHQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O.Ca.2H/c1-2-3-4-5-6-7-8-9-10-11-12;;;/h12H,2-11H2,1H3;;;/q;+2;2*-1.
What are the key properties of calcium;hydride;undecan-1-ol?
calcium;hydride;undecan-1-ol has a molecular weight of 214.41 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;undecan-1-ol is sourced from PubChem (CID 174734394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).