(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane

C16H26 — CID 54589598

IUPAC(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
SMILESC1C[C@H]2C[C@@H]1C[C@@H]2CC[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C16H26/c1-3-13-7-11(1)9-15(13)5-6-16-10-12-2-4-14(16)8-12/h11-16H,1-10H2/t11-,12+,13+,14-,15-,16-/m0/s1
InChIKeyVEUBNKBJLPYGMS-XFHWEBQZSA-N
MW218.38 g/mol
LogP4.64
Rot. Bonds3

About (1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane

(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane (PubChem CID 54589598) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
PubChem CID54589598
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
SMILESC1C[C@H]2C[C@@H]1C[C@@H]2CC[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C16H26/c1-3-13-7-11(1)9-15(13)5-6-16-10-12-2-4-14(16)8-12/h11-16H,1-10H2/t11-,12+,13+,14-,15-,16-/m0/s1
InChIKeyVEUBNKBJLPYGMS-XFHWEBQZSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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

(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
(1S,2S,4S)-2-(bromomethyl)bicyclo[2.2.1]heptane
CID 12625652
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
2-bicyclo[2.2.1]heptanylmethylphosphane
CID 58351251
N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine
CID 51723135
2-(2-bicyclo[2.2.1]heptanyl)ethyl-methoxysilane
CID 173472189
2-(3-chloro-4-methylpentyl)bicyclo[2.2.1]heptane
CID 79563064

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane?
The IUPAC name of (1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane (CID 54589598) is (1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane?
The canonical SMILES for (1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane is C1C[C@H]2C[C@@H]1C[C@@H]2CC[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane?
The InChIKey is VEUBNKBJLPYGMS-XFHWEBQZSA-N. The full InChI is InChI=1S/C16H26/c1-3-13-7-11(1)9-15(13)5-6-16-10-12-2-4-14(16)8-12/h11-16H,1-10H2/t11-,12+,13+,14-,15-,16-/m0/s1.
What are the key properties of (1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane?
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane has a molecular weight of 218.38 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 54589598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).