(1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol

C8H14O — CID 23268682

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

About (1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol

(1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol (PubChem CID 23268682) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol.

Molecular Properties

Compound Name(1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol
PubChem CID23268682
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol
SMILESC[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1O
InChIInChI=1S/C8H14O/c1-5-2-6-3-7(6)4-8(5)9/h5-9H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1
InChIKeyYZDFBKJQZLPXBB-XUTVFYLZSA-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 (1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol?
The IUPAC name of (1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol (CID 23268682) is (1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol.
What is the SMILES notation for (1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol?
The canonical SMILES for (1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol is C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1O.
What is the InChIKey of (1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol?
The InChIKey is YZDFBKJQZLPXBB-XUTVFYLZSA-N. The full InChI is InChI=1S/C8H14O/c1-5-2-6-3-7(6)4-8(5)9/h5-9H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1.
What are the key properties of (1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol?
(1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-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 (1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol is sourced from PubChem (CID 23268682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).