(5S)-2-methylbicyclo[3.2.1]octane

C9H16 — CID 154516111

IUPAC(5S)-2-methylbicyclo[3.2.1]octane
SMILESCC1CC[C@H]2CCC1C2
InChIInChI=1S/C9H16/c1-7-2-3-8-4-5-9(7)6-8/h7-9H,2-6H2,1H3/t7?,8-,9?/m0/s1
InChIKeyXISUNXMPFFHVNR-MGURRDGZSA-N
MW124.23 g/mol
LogP2.83
Rot. Bonds

About (5S)-2-methylbicyclo[3.2.1]octane

(5S)-2-methylbicyclo[3.2.1]octane (PubChem CID 154516111) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (5S)-2-methylbicyclo[3.2.1]octane.

Molecular Properties

Compound Name(5S)-2-methylbicyclo[3.2.1]octane
PubChem CID154516111
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(5S)-2-methylbicyclo[3.2.1]octane
SMILESCC1CC[C@H]2CCC1C2
InChIInChI=1S/C9H16/c1-7-2-3-8-4-5-9(7)6-8/h7-9H,2-6H2,1H3/t7?,8-,9?/m0/s1
InChIKeyXISUNXMPFFHVNR-MGURRDGZSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736
methane;(2S)-2-methylbicyclo[3.3.1]nonane
CID 165048741
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
(1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane
CID 135045002
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
(2S)-2-methylbicyclo[2.2.1]heptane;propane
CID 157354285
tricyclo[5.3.2.04,9]dodecane
CID 54490019
ethane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane
CID 158423545
2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane
CID 159125813
12-methyltricyclo[8.4.1.12,5]hexadecane
CID 163863196
(3S)-9-methyl-4-thiatricyclo[6.2.2.13,6]tridecane
CID 146233668
(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403

Frequently Asked Questions

What is the IUPAC name of (5S)-2-methylbicyclo[3.2.1]octane?
The IUPAC name of (5S)-2-methylbicyclo[3.2.1]octane (CID 154516111) is (5S)-2-methylbicyclo[3.2.1]octane.
What is the SMILES notation for (5S)-2-methylbicyclo[3.2.1]octane?
The canonical SMILES for (5S)-2-methylbicyclo[3.2.1]octane is CC1CC[C@H]2CCC1C2.
What is the InChIKey of (5S)-2-methylbicyclo[3.2.1]octane?
The InChIKey is XISUNXMPFFHVNR-MGURRDGZSA-N. The full InChI is InChI=1S/C9H16/c1-7-2-3-8-4-5-9(7)6-8/h7-9H,2-6H2,1H3/t7?,8-,9?/m0/s1.
What are the key properties of (5S)-2-methylbicyclo[3.2.1]octane?
(5S)-2-methylbicyclo[3.2.1]octane has a molecular weight of 124.23 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methylbicyclo[3.2.1]octane is sourced from PubChem (CID 154516111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).