3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane

C15H28 — CID 123239520

IUPAC3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane
SMILESCCC[C@@H](CC)C1CC2CCCC(C2)C1
InChIInChI=1S/C15H28/c1-3-6-14(4-2)15-10-12-7-5-8-13(9-12)11-15/h12-15H,3-11H2,1-2H3/t12?,13?,14-,15?/m1/s1
InChIKeyJLANZYGAYGQLHS-MIGSVPMKSA-N
MW208.39 g/mol
LogP5.03
Rot. Bonds4

About 3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane

3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane (PubChem CID 123239520) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane
PubChem CID123239520
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane
SMILESCCC[C@@H](CC)C1CC2CCCC(C2)C1
InChIInChI=1S/C15H28/c1-3-6-14(4-2)15-10-12-7-5-8-13(9-12)11-15/h12-15H,3-11H2,1-2H3/t12?,13?,14-,15?/m1/s1
InChIKeyJLANZYGAYGQLHS-MIGSVPMKSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane?
The IUPAC name of 3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane (CID 123239520) is 3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane.
What is the SMILES notation for 3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane?
The canonical SMILES for 3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane is CCC[C@@H](CC)C1CC2CCCC(C2)C1.
What is the InChIKey of 3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane?
The InChIKey is JLANZYGAYGQLHS-MIGSVPMKSA-N. The full InChI is InChI=1S/C15H28/c1-3-6-14(4-2)15-10-12-7-5-8-13(9-12)11-15/h12-15H,3-11H2,1-2H3/t12?,13?,14-,15?/m1/s1.
What are the key properties of 3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane?
3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane has a molecular weight of 208.39 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane is sourced from PubChem (CID 123239520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).