methane;(2S)-2-methylbicyclo[3.3.1]nonane

C11H22 — CID 165048741

IUPACmethane;(2S)-2-methylbicyclo[3.3.1]nonane
SMILESC.C[C@H]1CCC2CCCC1C2
InChIInChI=1S/C10H18.CH4/c1-8-5-6-9-3-2-4-10(8)7-9;/h8-10H,2-7H2,1H3;1H4/t8-,9?,10?;/m0./s1
InChIKeyPHZPZGMPKSRAOJ-AYUROHKDSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds

About methane;(2S)-2-methylbicyclo[3.3.1]nonane

methane;(2S)-2-methylbicyclo[3.3.1]nonane (PubChem CID 165048741) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is methane;(2S)-2-methylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Namemethane;(2S)-2-methylbicyclo[3.3.1]nonane
PubChem CID165048741
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Namemethane;(2S)-2-methylbicyclo[3.3.1]nonane
SMILESC.C[C@H]1CCC2CCCC1C2
InChIInChI=1S/C10H18.CH4/c1-8-5-6-9-3-2-4-10(8)7-9;/h8-10H,2-7H2,1H3;1H4/t8-,9?,10?;/m0./s1
InChIKeyPHZPZGMPKSRAOJ-AYUROHKDSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane
CID 135045002
(5S)-2-methylbicyclo[3.2.1]octane
CID 154516111
(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736
(3R,11S)-tricyclo[5.5.1.03,11]tridecane
CID 54121059
bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane;cubane;ethane;methane
CID 158575482
bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane
CID 159187687
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
(1R,5R)-2-ethylbicyclo[3.3.1]nonane
CID 143508540
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 14415240
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
(3R)-3-methylbicyclo[4.3.3]dodecane
CID 140778138

Frequently Asked Questions

What is the IUPAC name of methane;(2S)-2-methylbicyclo[3.3.1]nonane?
The IUPAC name of methane;(2S)-2-methylbicyclo[3.3.1]nonane (CID 165048741) is methane;(2S)-2-methylbicyclo[3.3.1]nonane.
What is the SMILES notation for methane;(2S)-2-methylbicyclo[3.3.1]nonane?
The canonical SMILES for methane;(2S)-2-methylbicyclo[3.3.1]nonane is C.C[C@H]1CCC2CCCC1C2.
What is the InChIKey of methane;(2S)-2-methylbicyclo[3.3.1]nonane?
The InChIKey is PHZPZGMPKSRAOJ-AYUROHKDSA-N. The full InChI is InChI=1S/C10H18.CH4/c1-8-5-6-9-3-2-4-10(8)7-9;/h8-10H,2-7H2,1H3;1H4/t8-,9?,10?;/m0./s1.
What are the key properties of methane;(2S)-2-methylbicyclo[3.3.1]nonane?
methane;(2S)-2-methylbicyclo[3.3.1]nonane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2S)-2-methylbicyclo[3.3.1]nonane is sourced from PubChem (CID 165048741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).