calcium;dodecan-1-ol;hydride

C12H28CaO — CID 173099575

IUPACcalcium;dodecan-1-ol;hydride
SMILESCCCCCCCCCCCCO.[Ca+2].[H-].[H-]
InChIInChI=1S/C12H26O.Ca.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13;;;/h13H,2-12H2,1H3;;;/q;+2;2*-1
InChIKeyRKRKGESYDNUFBT-UHFFFAOYSA-N
MW228.43 g/mol
LogP3.74
Rot. Bonds10

About calcium;dodecan-1-ol;hydride

calcium;dodecan-1-ol;hydride (PubChem CID 173099575) has the molecular formula C12H28CaO and a molecular weight of 228.43 g/mol. Its IUPAC name is calcium;dodecan-1-ol;hydride.

Molecular Properties

Compound Namecalcium;dodecan-1-ol;hydride
PubChem CID173099575
Molecular FormulaC12H28CaO
Molecular Weight228.43 g/mol
Exact Mass228.18
IUPAC Namecalcium;dodecan-1-ol;hydride
SMILESCCCCCCCCCCCCO.[Ca+2].[H-].[H-]
InChIInChI=1S/C12H26O.Ca.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13;;;/h13H,2-12H2,1H3;;;/q;+2;2*-1
InChIKeyRKRKGESYDNUFBT-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.43
LogP ≤ 53.74
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;hydride;undecan-1-ol
CID 174734394
magnesium;hexan-1-ol;hydride
CID 173424327
sodium;dodecan-1-ol;hydride
CID 173039865
magnesium;heptan-1-ol;hydride
CID 174154950
hexan-1-ol;nonane
CID 175106830
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
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426

Frequently Asked Questions

What is the IUPAC name of calcium;dodecan-1-ol;hydride?
The IUPAC name of calcium;dodecan-1-ol;hydride (CID 173099575) is calcium;dodecan-1-ol;hydride.
What is the SMILES notation for calcium;dodecan-1-ol;hydride?
The canonical SMILES for calcium;dodecan-1-ol;hydride is CCCCCCCCCCCCO.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;dodecan-1-ol;hydride?
The InChIKey is RKRKGESYDNUFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.Ca.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13;;;/h13H,2-12H2,1H3;;;/q;+2;2*-1.
What are the key properties of calcium;dodecan-1-ol;hydride?
calcium;dodecan-1-ol;hydride has a molecular weight of 228.43 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;dodecan-1-ol;hydride is sourced from PubChem (CID 173099575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).