2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene

C17H28 — CID 19102351

IUPAC2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESCC1C(CC2CC3CCC2C3)CC2CCCC21
InChIInChI=1S/C17H28/c1-11-15(9-14-3-2-4-17(11)14)10-16-8-12-5-6-13(16)7-12/h11-17H,2-10H2,1H3
InChIKeyBUIHUZVBRWSBOC-UHFFFAOYSA-N
MW232.41 g/mol
LogP4.89
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene

2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene (PubChem CID 19102351) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
PubChem CID19102351
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESCC1C(CC2CC3CCC2C3)CC2CCCC21
InChIInChI=1S/C17H28/c1-11-15(9-14-3-2-4-17(11)14)10-16-8-12-5-6-13(16)7-12/h11-17H,2-10H2,1H3
InChIKeyBUIHUZVBRWSBOC-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene with MolForge

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Related Compounds

2-[(3-chloro-2-methylcyclopentyl)methyl]bicyclo[2.2.1]heptane
CID 79550624
CID 15349801
CID 15349801
3-ethyl-2-methylbicyclo[3.3.1]nonane
CID 148913731
2-(2-bicyclo[2.2.1]heptanylmethyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106780596
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutyl]-N-methylmethanamine
CID 81017377
(2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine
CID 101081315
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
2-(2-bicyclo[2.2.1]heptanyl)-1-(6-bicyclo[3.1.0]hexanyl)ethanol
CID 115821223
2-ethyl-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552208
2-(2-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane
CID 132601108

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene (CID 19102351) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene is CC1C(CC2CC3CCC2C3)CC2CCCC21.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The InChIKey is BUIHUZVBRWSBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-11-15(9-14-3-2-4-17(11)14)10-16-8-12-5-6-13(16)7-12/h11-17H,2-10H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene has a molecular weight of 232.41 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene is sourced from PubChem (CID 19102351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).