1-methylbicyclo[2.2.1]heptane-7,7-diol

C8H14O2 — CID 154099151

IUPAC1-methylbicyclo[2.2.1]heptane-7,7-diol
SMILESCC12CCC(CC1)C2(O)O
InChIInChI=1S/C8H14O2/c1-7-4-2-6(3-5-7)8(7,9)10/h6,9-10H,2-5H2,1H3
InChIKeyULSQBGOUNGNLEH-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.88
Rot. Bonds

About 1-methylbicyclo[2.2.1]heptane-7,7-diol

1-methylbicyclo[2.2.1]heptane-7,7-diol (PubChem CID 154099151) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-methylbicyclo[2.2.1]heptane-7,7-diol.

Molecular Properties

Compound Name1-methylbicyclo[2.2.1]heptane-7,7-diol
PubChem CID154099151
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-methylbicyclo[2.2.1]heptane-7,7-diol
SMILESCC12CCC(CC1)C2(O)O
InChIInChI=1S/C8H14O2/c1-7-4-2-6(3-5-7)8(7,9)10/h6,9-10H,2-5H2,1H3
InChIKeyULSQBGOUNGNLEH-UHFFFAOYSA-N
XLogP0.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate
CID 141349700
1,7-dimethylbicyclo[2.2.1]heptan-7-amine
CID 55289317
(1R,2S,4S)-2-tert-butyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 101234251
phosphoric acid;1,7,7-trimethylbicyclo[2.2.1]heptane
CID 87142437
7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane
CID 174620142
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 51004058
(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 91871275
2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401241
(1R,2R,4S)-2-[(2R)-2-hydroxypropyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10878485
(1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 23309189
(1R,2S,4S)-1,3,3-trimethyl-2-[[(2R)-oxiran-2-yl]methyl]bicyclo[2.2.1]heptan-2-ol
CID 100962458
(1R,2S,4S)-2-[5-[(1R,2S,4S)-2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylidenepentyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 102183355

Frequently Asked Questions

What is the IUPAC name of 1-methylbicyclo[2.2.1]heptane-7,7-diol?
The IUPAC name of 1-methylbicyclo[2.2.1]heptane-7,7-diol (CID 154099151) is 1-methylbicyclo[2.2.1]heptane-7,7-diol.
What is the SMILES notation for 1-methylbicyclo[2.2.1]heptane-7,7-diol?
The canonical SMILES for 1-methylbicyclo[2.2.1]heptane-7,7-diol is CC12CCC(CC1)C2(O)O.
What is the InChIKey of 1-methylbicyclo[2.2.1]heptane-7,7-diol?
The InChIKey is ULSQBGOUNGNLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7-4-2-6(3-5-7)8(7,9)10/h6,9-10H,2-5H2,1H3.
What are the key properties of 1-methylbicyclo[2.2.1]heptane-7,7-diol?
1-methylbicyclo[2.2.1]heptane-7,7-diol has a molecular weight of 142.20 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbicyclo[2.2.1]heptane-7,7-diol is sourced from PubChem (CID 154099151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).