2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane

C16H26 — CID 19890420

IUPAC2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane
SMILESCC1(CC2CC3CCC2C3)CC2CCC1C2
InChIInChI=1S/C16H26/c1-16(9-12-3-5-15(16)8-12)10-14-7-11-2-4-13(14)6-11/h11-15H,2-10H2,1H3
InChIKeyFRHQUKMQMFHNQE-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.64
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane

2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane (PubChem CID 19890420) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane
PubChem CID19890420
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane
SMILESCC1(CC2CC3CCC2C3)CC2CCC1C2
InChIInChI=1S/C16H26/c1-16(9-12-3-5-15(16)8-12)10-14-7-11-2-4-13(14)6-11/h11-15H,2-10H2,1H3
InChIKeyFRHQUKMQMFHNQE-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2-(2-bicyclo[2.2.1]heptanylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 79550553
2-methyl-2-propylbicyclo[2.2.1]heptane
CID 20587119
(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
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-ol
CID 116540023
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
CID 168807164
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dimethylcyclohexan-1-ol
CID 79559177
2-[[1-(bromomethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane
CID 79550198
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylcyclohexan-1-amine
CID 79559407
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclopentan-1-one
CID 116538621
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-ethylcyclopentan-1-amine
CID 79558415

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane (CID 19890420) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane is CC1(CC2CC3CCC2C3)CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane?
The InChIKey is FRHQUKMQMFHNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-16(9-12-3-5-15(16)8-12)10-14-7-11-2-4-13(14)6-11/h11-15H,2-10H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane?
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane has a molecular weight of 218.38 g/mol, XLogP of 4.64, 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)-2-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 19890420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).