(1R,6R)-1-[(1R,6R)-1-bicyclo[4.1.0]heptanyl]bicyclo[4.1.0]heptane

C14H22 — CID 134980296

IUPAC(1R,6R)-1-[(1R,6R)-1-bicyclo[4.1.0]heptanyl]bicyclo[4.1.0]heptane
SMILESC1CC[C@@]2([C@@]34CCCC[C@@H]3C4)C[C@H]2C1
InChIInChI=1S/C14H22/c1-3-7-13(9-11(13)5-1)14-8-4-2-6-12(14)10-14/h11-12H,1-10H2/t11-,12-,13-,14-/m1/s1
InChIKeyRLCDYOAJRKHIFX-AAVRWANBSA-N
MW190.33 g/mol
LogP4.15
Rot. Bonds1

About (1R,6R)-1-[(1R,6R)-1-bicyclo[4.1.0]heptanyl]bicyclo[4.1.0]heptane

(1R,6R)-1-[(1R,6R)-1-bicyclo[4.1.0]heptanyl]bicyclo[4.1.0]heptane (PubChem CID 134980296) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (1R,6R)-1-[(1R,6R)-1-bicyclo[4.1.0]heptanyl]bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,6R)-1-[(1R,6R)-1-bicyclo[4.1.0]heptanyl]bicyclo[4.1.0]heptane
PubChem CID134980296
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(1R,6R)-1-[(1R,6R)-1-bicyclo[4.1.0]heptanyl]bicyclo[4.1.0]heptane
SMILESC1CC[C@@]2([C@@]34CCCC[C@@H]3C4)C[C@H]2C1
InChIInChI=1S/C14H22/c1-3-7-13(9-11(13)5-1)14-8-4-2-6-12(14)10-14/h11-12H,1-10H2/t11-,12-,13-,14-/m1/s1
InChIKeyRLCDYOAJRKHIFX-AAVRWANBSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R,6R)-1-[(1R,6R)-1-bicyclo[4.1.0]heptanyl]bicyclo[4.1.0]heptane?
The IUPAC name of (1R,6R)-1-[(1R,6R)-1-bicyclo[4.1.0]heptanyl]bicyclo[4.1.0]heptane (CID 134980296) is (1R,6R)-1-[(1R,6R)-1-bicyclo[4.1.0]heptanyl]bicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,6R)-1-[(1R,6R)-1-bicyclo[4.1.0]heptanyl]bicyclo[4.1.0]heptane?
The canonical SMILES for (1R,6R)-1-[(1R,6R)-1-bicyclo[4.1.0]heptanyl]bicyclo[4.1.0]heptane is C1CC[C@@]2([C@@]34CCCC[C@@H]3C4)C[C@H]2C1.
What is the InChIKey of (1R,6R)-1-[(1R,6R)-1-bicyclo[4.1.0]heptanyl]bicyclo[4.1.0]heptane?
The InChIKey is RLCDYOAJRKHIFX-AAVRWANBSA-N. The full InChI is InChI=1S/C14H22/c1-3-7-13(9-11(13)5-1)14-8-4-2-6-12(14)10-14/h11-12H,1-10H2/t11-,12-,13-,14-/m1/s1.
What are the key properties of (1R,6R)-1-[(1R,6R)-1-bicyclo[4.1.0]heptanyl]bicyclo[4.1.0]heptane?
(1R,6R)-1-[(1R,6R)-1-bicyclo[4.1.0]heptanyl]bicyclo[4.1.0]heptane has a molecular weight of 190.33 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-1-[(1R,6R)-1-bicyclo[4.1.0]heptanyl]bicyclo[4.1.0]heptane is sourced from PubChem (CID 134980296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).