calcium;hydride;phosphoric acid;triacontan-1-ol

C30H67CaO5P — CID 175292657

IUPACcalcium;hydride;phosphoric acid;triacontan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO.O=P(O)(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C30H62O.Ca.H3O4P.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31;;1-5(2,3)4;;/h31H,2-30H2,1H3;;(H3,1,2,3,4);;/q;+2;;2*-1
InChIKeyCDURCKWQDYQPIL-UHFFFAOYSA-N
MW578.91 g/mol
LogP9.84
Rot. Bonds28

About calcium;hydride;phosphoric acid;triacontan-1-ol

calcium;hydride;phosphoric acid;triacontan-1-ol (PubChem CID 175292657) has the molecular formula C30H67CaO5P and a molecular weight of 578.91 g/mol. Its IUPAC name is calcium;hydride;phosphoric acid;triacontan-1-ol.

Molecular Properties

Compound Namecalcium;hydride;phosphoric acid;triacontan-1-ol
PubChem CID175292657
Molecular FormulaC30H67CaO5P
Molecular Weight578.91 g/mol
Exact Mass578.44
IUPAC Namecalcium;hydride;phosphoric acid;triacontan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO.O=P(O)(O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C30H62O.Ca.H3O4P.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31;;1-5(2,3)4;;/h31H,2-30H2,1H3;;(H3,1,2,3,4);;/q;+2;;2*-1
InChIKeyCDURCKWQDYQPIL-UHFFFAOYSA-N
XLogP9.84
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.91
LogP ≤ 59.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;dodecan-1-ol;hydride;phosphoric acid
CID 173189206
heptadecan-1-ol;phosphoric acid
CID 174616506
octadecan-1-ol;phosphoric acid;zinc
CID 175122102
phosphoric acid;silane;tridecan-1-ol
CID 174860606
CID 170851414
CID 170851414
calcium;dodecan-1-ol;hydride
CID 173099575
calcium;hydride;undecan-1-ol
CID 174734394
aminophosphonic acid;dodecan-1-ol
CID 174506019
dodecane;phosphoric acid
CID 88801558
(E)-octadec-9-en-1-ol;phosphoric acid
CID 18003832
trisodium;octadecan-1-ol;phosphate
CID 173304985
magnesium;hexan-1-ol;hydride
CID 173424327

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;phosphoric acid;triacontan-1-ol?
The IUPAC name of calcium;hydride;phosphoric acid;triacontan-1-ol (CID 175292657) is calcium;hydride;phosphoric acid;triacontan-1-ol.
What is the SMILES notation for calcium;hydride;phosphoric acid;triacontan-1-ol?
The canonical SMILES for calcium;hydride;phosphoric acid;triacontan-1-ol is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO.O=P(O)(O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;phosphoric acid;triacontan-1-ol?
The InChIKey is CDURCKWQDYQPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O.Ca.H3O4P.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31;;1-5(2,3)4;;/h31H,2-30H2,1H3;;(H3,1,2,3,4);;/q;+2;;2*-1.
What are the key properties of calcium;hydride;phosphoric acid;triacontan-1-ol?
calcium;hydride;phosphoric acid;triacontan-1-ol has a molecular weight of 578.91 g/mol, XLogP of 9.84, 28 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;phosphoric acid;triacontan-1-ol is sourced from PubChem (CID 175292657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).