(2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane

C13H24 — CID 163804564

IUPAC(2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane
SMILESCC(C)[C@H]1CCC2CC1C[C@@H](C)C2
InChIInChI=1S/C13H24/c1-9(2)13-5-4-11-6-10(3)7-12(13)8-11/h9-13H,4-8H2,1-3H3/t10-,11?,12?,13+/m0/s1
InChIKeyNHXLBOIGNWHOCM-YWPUVAFDSA-N
MW180.34 g/mol
LogP4.10
Rot. Bonds1

About (2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane

(2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane (PubChem CID 163804564) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is (2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane
PubChem CID163804564
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name(2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane
SMILESCC(C)[C@H]1CCC2CC1C[C@@H](C)C2
InChIInChI=1S/C13H24/c1-9(2)13-5-4-11-6-10(3)7-12(13)8-11/h9-13H,4-8H2,1-3H3/t10-,11?,12?,13+/m0/s1
InChIKeyNHXLBOIGNWHOCM-YWPUVAFDSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
N,7-dimethylbicyclo[3.3.1]nonan-2-amine
CID 88999597
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
1-propan-2-yladamantane;2-propan-2-ylbicyclo[2.2.1]heptane;2-propan-2-ylbicyclo[3.2.1]octane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 167643637
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723595
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
1,4-dimethyl-2-propan-2-ylcyclopentane
CID 91513076
4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane
CID 54004505
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 14166067
2,5-di(propan-2-yl)bicyclo[2.2.2]octane
CID 140828495
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963

Frequently Asked Questions

What is the IUPAC name of (2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane?
The IUPAC name of (2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane (CID 163804564) is (2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane.
What is the SMILES notation for (2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane?
The canonical SMILES for (2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane is CC(C)[C@H]1CCC2CC1C[C@@H](C)C2.
What is the InChIKey of (2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane?
The InChIKey is NHXLBOIGNWHOCM-YWPUVAFDSA-N. The full InChI is InChI=1S/C13H24/c1-9(2)13-5-4-11-6-10(3)7-12(13)8-11/h9-13H,4-8H2,1-3H3/t10-,11?,12?,13+/m0/s1.
What are the key properties of (2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane?
(2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane has a molecular weight of 180.34 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S)-7-methyl-2-propan-2-ylbicyclo[3.3.1]nonane is sourced from PubChem (CID 163804564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).