1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate

C10H20O — CID 141349700

IUPAC1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate
SMILESCC12CCC(CC1)C2(C)C.O
InChIInChI=1S/C10H18.H2O/c1-9(2)8-4-6-10(9,3)7-5-8;/h8H,4-7H2,1-3H3;1H2
InChIKeyHRNVNIUODOBZES-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.40
Rot. Bonds

About 1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate

1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate (PubChem CID 141349700) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate.

Molecular Properties

Compound Name1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate
PubChem CID141349700
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate
SMILESCC12CCC(CC1)C2(C)C.O
InChIInChI=1S/C10H18.H2O/c1-9(2)8-4-6-10(9,3)7-5-8;/h8H,4-7H2,1-3H3;1H2
InChIKeyHRNVNIUODOBZES-UHFFFAOYSA-N
XLogP2.40
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane
CID 87142437
acetic acid;guanidine;1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174415589
(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-methylbicyclo[2.2.1]heptane-7,7-diol
CID 154099151
1,7-dimethylbicyclo[2.2.1]heptan-7-amine
CID 55289317
1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride
CID 159301081
1,3,8,8-tetramethyl-3-[(1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octan-3-yl)methyl]-3-azoniabicyclo[3.2.1]octane diiodide
CID 137321577
3-ethyl-1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane
CID 4226769
7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane
CID 174620142
1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde
CID 173139577
ethane;tricyclo[5.2.1.02,6]decane;tricyclo[5.2.1.02,6]dec-3-ene;1,7,7-trimethylbicyclo[2.2.1]heptane
CID 158068036

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate?
The IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate (CID 141349700) is 1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate.
What is the SMILES notation for 1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate?
The canonical SMILES for 1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate is CC12CCC(CC1)C2(C)C.O.
What is the InChIKey of 1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate?
The InChIKey is HRNVNIUODOBZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.H2O/c1-9(2)8-4-6-10(9,3)7-5-8;/h8H,4-7H2,1-3H3;1H2.
What are the key properties of 1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate?
1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate has a molecular weight of 156.27 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate is sourced from PubChem (CID 141349700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).