(1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol

C8H14O — CID 131124362

IUPAC(1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol
SMILESC[C@@H]1CC[C@@H]2C[C@@H]2[C@H]1O
InChIInChI=1S/C8H14O/c1-5-2-3-6-4-7(6)8(5)9/h5-9H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
InChIKeyHXQGOMPSNOZZKW-NGJRWZKOSA-N
MW126.20 g/mol
LogP1.41
Rot. Bonds

About (1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol

(1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol (PubChem CID 131124362) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol
PubChem CID131124362
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol
SMILESC[C@@H]1CC[C@@H]2C[C@@H]2[C@H]1O
InChIInChI=1S/C8H14O/c1-5-2-3-6-4-7(6)8(5)9/h5-9H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
InChIKeyHXQGOMPSNOZZKW-NGJRWZKOSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol?
The IUPAC name of (1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol (CID 131124362) is (1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for (1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for (1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol is C[C@@H]1CC[C@@H]2C[C@@H]2[C@H]1O.
What is the InChIKey of (1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol?
The InChIKey is HXQGOMPSNOZZKW-NGJRWZKOSA-N. The full InChI is InChI=1S/C8H14O/c1-5-2-3-6-4-7(6)8(5)9/h5-9H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1.
What are the key properties of (1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol?
(1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol has a molecular weight of 126.20 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 131124362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).