phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C10H21O5P — CID 175476100

IUPACphosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@@H](O)C2.O=P(O)(O)O
InChIInChI=1S/C10H18O.H3O4P/c1-9(2)7-4-5-10(9,3)8(11)6-7;1-5(2,3)4/h7-8,11H,4-6H2,1-3H3;(H3,1,2,3,4)/t7-,8+,10-;/m1./s1
InChIKeyNJAPBGZUFFUACF-JUHCGIOYSA-N
MW252.25 g/mol
LogP1.26
Rot. Bonds

About phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 175476100) has the molecular formula C10H21O5P and a molecular weight of 252.25 g/mol. Its IUPAC name is phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Namephosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID175476100
Molecular FormulaC10H21O5P
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Namephosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@]1(C)[C@@H](O)C2.O=P(O)(O)O
InChIInChI=1S/C10H18O.H3O4P/c1-9(2)7-4-5-10(9,3)8(11)6-7;1-5(2,3)4/h7-8,11H,4-6H2,1-3H3;(H3,1,2,3,4)/t7-,8+,10-;/m1./s1
InChIKeyNJAPBGZUFFUACF-JUHCGIOYSA-N
XLogP1.26
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
CID 174915941
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
CID 170163545
formic acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175147458
oxolane-2,5-dione;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174877215
methyl prop-2-enoate;(1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174921390
(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 135369493
octanoic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175142165
butane-1,4-diol;4-oxopentanoic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175441647
3-phenylprop-2-enoic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 67727092

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 175476100) is phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@@H]2CC[C@]1(C)[C@@H](O)C2.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is NJAPBGZUFFUACF-JUHCGIOYSA-N. The full InChI is InChI=1S/C10H18O.H3O4P/c1-9(2)7-4-5-10(9,3)8(11)6-7;1-5(2,3)4/h7-8,11H,4-6H2,1-3H3;(H3,1,2,3,4)/t7-,8+,10-;/m1./s1.
What are the key properties of phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 252.25 g/mol, XLogP of 1.26, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 175476100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).