(1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

C10H18O2 — CID 14593278

IUPAC(1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(CO)[C@@H](O)C2
InChIInChI=1S/C10H18O2/c1-9(2)7-3-4-10(9,6-11)8(12)5-7/h7-8,11-12H,3-6H2,1-2H3/t7-,8+,10-/m1/s1
InChIKeyULSDZTSFFJKLTM-KHQFGBGNSA-N
MW170.25 g/mol
LogP1.17
Rot. Bonds1

About (1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

(1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 14593278) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID14593278
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(CO)[C@@H](O)C2
InChIInChI=1S/C10H18O2/c1-9(2)7-3-4-10(9,6-11)8(12)5-7/h7-8,11-12H,3-6H2,1-2H3/t7-,8+,10-/m1/s1
InChIKeyULSDZTSFFJKLTM-KHQFGBGNSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol (CID 14593278) is (1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@@H]2CC[C@@]1(CO)[C@@H](O)C2.
What is the InChIKey of (1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is ULSDZTSFFJKLTM-KHQFGBGNSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)7-3-4-10(9,6-11)8(12)5-7/h7-8,11-12H,3-6H2,1-2H3/t7-,8+,10-/m1/s1.
What are the key properties of (1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol?
(1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 14593278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).