(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane

C10H18 — CID 144532112

IUPAC(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
SMILESCC[C@H]1C2CCC1C(C)C2
InChIInChI=1S/C10H18/c1-3-9-8-4-5-10(9)7(2)6-8/h7-10H,3-6H2,1-2H3/t7?,8?,9-,10?/m0/s1
InChIKeyLGAHWFSWPCSWSH-HTEYAMCKSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds1

About (7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane

(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane (PubChem CID 144532112) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
PubChem CID144532112
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
SMILESCC[C@H]1C2CCC1C(C)C2
InChIInChI=1S/C10H18/c1-3-9-8-4-5-10(9)7(2)6-8/h7-10H,3-6H2,1-2H3/t7?,8?,9-,10?/m0/s1
InChIKeyLGAHWFSWPCSWSH-HTEYAMCKSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

exo-Tetrahydrodicyclopentadiene
CID 11159354
4,7-Methano-1H-indene, octahydro-
CID 17795
Bornane
CID 92108
Isocamphane
CID 296894
Norbornane, 2-isobutyl-
CID 565405
4,7-Methano-1H-indene, octahydro-, (3aR,4R,7S,7aS)-rel-
CID 9812790
7,7-Dimethyl-bicyclo(2.2.1)heptane
CID 137289
Bicyclo(2.2.1)heptane, 2-ethyl-
CID 137449
Fenchane
CID 138701
2,3-Dimethylbicyclo(2.2.1)heptane
CID 140711
(1S,3S,4R)-2,2,3-Trimethylbicyclo(2.2.1)heptane
CID 71418467
2-Methylbicyclo(2.2.1)heptane
CID 136674

Frequently Asked Questions

What is the IUPAC name of (7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane?
The IUPAC name of (7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane (CID 144532112) is (7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for (7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane?
The canonical SMILES for (7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane is CC[C@H]1C2CCC1C(C)C2.
What is the InChIKey of (7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane?
The InChIKey is LGAHWFSWPCSWSH-HTEYAMCKSA-N. The full InChI is InChI=1S/C10H18/c1-3-9-8-4-5-10(9)7(2)6-8/h7-10H,3-6H2,1-2H3/t7?,8?,9-,10?/m0/s1.
What are the key properties of (7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane?
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 144532112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).