phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane

C10H24O8P2 — CID 87142437

IUPACphosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane
SMILESCC12CCC(CC1)C2(C)C.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C10H18.2H3O4P/c1-9(2)8-4-6-10(9,3)7-5-8;2*1-5(2,3)4/h8H,4-7H2,1-3H3;2*(H3,1,2,3,4)
InChIKeyRNVVGOCKCJVXBL-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.37
Rot. Bonds

About phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane

phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane (PubChem CID 87142437) has the molecular formula C10H24O8P2 and a molecular weight of 334.24 g/mol. Its IUPAC name is phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Namephosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane
PubChem CID87142437
Molecular FormulaC10H24O8P2
Molecular Weight334.24 g/mol
Exact Mass334.09
IUPAC Namephosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane
SMILESCC12CCC(CC1)C2(C)C.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C10H18.2H3O4P/c1-9(2)8-4-6-10(9,3)7-5-8;2*1-5(2,3)4/h8H,4-7H2,1-3H3;2*(H3,1,2,3,4)
InChIKeyRNVVGOCKCJVXBL-UHFFFAOYSA-N
XLogP1.37
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.24
LogP ≤ 51.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate
CID 141349700
acetic acid;guanidine;1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174415589
phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175476100
1-methylbicyclo[2.2.1]heptane-7,7-diol
CID 154099151
(1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 23309189
(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;hydrochloride
CID 22875698
1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde
CID 173139577
1,7-dimethylbicyclo[2.2.1]heptan-7-amine
CID 55289317
1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride
CID 159301081
(1R,2S,4S)-2-tert-butyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 101234251
2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetamide
CID 13039165
1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane
CID 55279434

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane (CID 87142437) is phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane is CC12CCC(CC1)C2(C)C.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane?
The InChIKey is RNVVGOCKCJVXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.2H3O4P/c1-9(2)8-4-6-10(9,3)7-5-8;2*1-5(2,3)4/h8H,4-7H2,1-3H3;2*(H3,1,2,3,4).
What are the key properties of phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane?
phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane has a molecular weight of 334.24 g/mol, XLogP of 1.37, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 87142437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).