(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol

C11H20O2 — CID 23268227

IUPAC(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol
SMILESCC1(C)[C@@H]2C[C@](C)(O)[C@](C)(O)C[C@@H]21
InChIInChI=1S/C11H20O2/c1-9(2)7-5-10(3,12)11(4,13)6-8(7)9/h7-8,12-13H,5-6H2,1-4H3/t7-,8+,10+,11-
InChIKeyZEXXQGQQWIRYMZ-YDRMRZIKSA-N
MW184.28 g/mol
LogP1.55
Rot. Bonds

About (1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol

(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol (PubChem CID 23268227) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol.

Molecular Properties

Compound Name(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol
PubChem CID23268227
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol
SMILESCC1(C)[C@@H]2C[C@](C)(O)[C@](C)(O)C[C@@H]21
InChIInChI=1S/C11H20O2/c1-9(2)7-5-10(3,12)11(4,13)6-8(7)9/h7-8,12-13H,5-6H2,1-4H3/t7-,8+,10+,11-
InChIKeyZEXXQGQQWIRYMZ-YDRMRZIKSA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol?
The IUPAC name of (1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol (CID 23268227) is (1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol.
What is the SMILES notation for (1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol?
The canonical SMILES for (1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol is CC1(C)[C@@H]2C[C@](C)(O)[C@](C)(O)C[C@@H]21.
What is the InChIKey of (1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol?
The InChIKey is ZEXXQGQQWIRYMZ-YDRMRZIKSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(2)7-5-10(3,12)11(4,13)6-8(7)9/h7-8,12-13H,5-6H2,1-4H3/t7-,8+,10+,11-.
What are the key properties of (1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol?
(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol has a molecular weight of 184.28 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol is sourced from PubChem (CID 23268227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).