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

C8H14O — CID 134981260

IUPAC(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(O)C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C8H14O/c1-8(9)5-6-2-3-7(8)4-6/h6-7,9H,2-5H2,1H3/t6-,7+,8?/m1/s1
InChIKeyQBAQBGVSOIIKBF-KVARREAHSA-N
MW126.20 g/mol
LogP1.56
Rot. Bonds

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

(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol (PubChem CID 134981260) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
PubChem CID134981260
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(O)C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C8H14O/c1-8(9)5-6-2-3-7(8)4-6/h6-7,9H,2-5H2,1H3/t6-,7+,8?/m1/s1
InChIKeyQBAQBGVSOIIKBF-KVARREAHSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

(2R)-2-methylbicyclo[2.2.2]octan-2-ol
CID 13329636
(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
CID 131148084
1-[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 131122993
(1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 178190368
2-propan-2-ylbicyclo[2.2.1]heptan-2-ol
CID 12648920
methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate
CID 134309639
3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
CID 168807164
methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 6427528
(1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 98511309
2-methyl-2-propylbicyclo[2.2.1]heptane
CID 20587119
2,2-dihydroperoxybicyclo[2.2.1]heptane
CID 134965328
6',6'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane]
CID 20680012

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol (CID 134981260) is (1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol is CC1(O)C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is QBAQBGVSOIIKBF-KVARREAHSA-N. The full InChI is InChI=1S/C8H14O/c1-8(9)5-6-2-3-7(8)4-6/h6-7,9H,2-5H2,1H3/t6-,7+,8?/m1/s1.
What are the key properties of (1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol?
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 126.20 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 134981260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).