(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

(2S)-2-methylbicyclo[2.2.0]hexane
CID 174068638
2,7-diethylbicyclo[2.2.1]heptane
CID 146718976
(4aR,8aS)-3-ethyl-2-methyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 162292694
1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147174204
2-ethyltricyclo[3.2.1.03,8]octane
CID 123682557
5-ethyl-6-methylbicyclo[2.1.1]hexane
CID 123324829
(1R,2R,3S,4S)-2-[2-[(1S,2S,3R,4R)-3-ethyl-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[2-[(1R,2R,3S,4S)-3-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 59960440
(1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine
CID 167142700
3-ethylbicyclo[2.2.1]heptan-2-amine
CID 20590601
6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
CID 91007754
2-ethyl-3-methylbicyclo[5.1.0]octane
CID 123245029
(3R)-2,3-dimethylbicyclo[3.2.0]heptane
CID 154561320

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).