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

Name: 3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₈ — CID 123239520

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane
PubChem CID	123239520
Molecular Formula	C₁₅H₂₈
Molecular Weight	208.39 g/mol
Exact Mass	208.22
IUPAC Name	3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane
SMILES	CCC[C@@H](CC)C1CC2CCCC(C2)C1
InChI	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
InChIKey	JLANZYGAYGQLHS-MIGSVPMKSA-N
XLogP	5.03
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	4
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	208.39
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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).

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Sources

PubChem CID 123239520 — identifiers, structure, computed properties (public domain)

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