(1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

C10H18O — CID 6973643

IUPAC(1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1O
InChIInChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
InChIKeyIAIHUHQCLTYTSF-QXFUBDJGSA-N
MW154.25 g/mol
LogP2.19
Rot. Bonds

About (1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

(1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 6973643) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID6973643
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1O
InChIInChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
InChIKeyIAIHUHQCLTYTSF-QXFUBDJGSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (CID 6973643) is (1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1O.
What is the InChIKey of (1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is IAIHUHQCLTYTSF-QXFUBDJGSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1.
What are the key properties of (1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
(1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 154.25 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 6973643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).