2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane

C29H56 — CID 159125813

IUPAC2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane
SMILESCC1CC2CCC1C2.CC1CCCC1.CC1CCCCC1.CC1CCCCCC1
InChIInChI=1S/C8H14.C8H16.C7H14.C6H12/c1-6-4-7-2-3-8(6)5-7;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h6-8H,2-5H2,1H3;8H,2-7H2,1H3;7H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyKGGJSRMOONRALL-UHFFFAOYSA-N
MW404.77 g/mol
LogP10.20
Rot. Bonds

About 2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane

2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane (PubChem CID 159125813) has the molecular formula C29H56 and a molecular weight of 404.77 g/mol. Its IUPAC name is 2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane.

Molecular Properties

Compound Name2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane
PubChem CID159125813
Molecular FormulaC29H56
Molecular Weight404.77 g/mol
Exact Mass404.44
IUPAC Name2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane
SMILESCC1CC2CCC1C2.CC1CCCC1.CC1CCCCC1.CC1CCCCCC1
InChIInChI=1S/C8H14.C8H16.C7H14.C6H12/c1-6-4-7-2-3-8(6)5-7;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h6-8H,2-5H2,1H3;8H,2-7H2,1H3;7H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyKGGJSRMOONRALL-UHFFFAOYSA-N
XLogP10.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.77
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
(2S)-2-methylbicyclo[2.2.1]heptane;propane
CID 157354285
ethane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane
CID 158423545
(1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane
CID 135045002
(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736
2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane
CID 159760905
1,6-dimethylcycloundecane
CID 91298161
cyclohexane;methylcyclopentane
CID 20788572
12-methyltricyclo[8.4.1.12,5]hexadecane
CID 163863196
(5S)-2-methylbicyclo[3.2.1]octane
CID 154516111
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402

Frequently Asked Questions

What is the IUPAC name of 2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane?
The IUPAC name of 2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane (CID 159125813) is 2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane.
What is the SMILES notation for 2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane?
The canonical SMILES for 2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane is CC1CC2CCC1C2.CC1CCCC1.CC1CCCCC1.CC1CCCCCC1.
What is the InChIKey of 2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane?
The InChIKey is KGGJSRMOONRALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C8H16.C7H14.C6H12/c1-6-4-7-2-3-8(6)5-7;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h6-8H,2-5H2,1H3;8H,2-7H2,1H3;7H,2-6H2,1H3;6H,2-5H2,1H3.
What are the key properties of 2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane?
2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane has a molecular weight of 404.77 g/mol, XLogP of 10.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane is sourced from PubChem (CID 159125813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).