cis-(1S,2R)-1,2-dimethylcyclopentane

C7H14 — CID 14498

IUPACcis-(1S,2R)-1,2-dimethylcyclopentane
SMILESC[C@@H]1CCC[C@@H]1C
InChIInChI=1S/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7+
InChIKeyRIRARCHMRDHZAR-KNVOCYPGSA-N
MW98.19 g/mol
LogP2.44
Rot. Bonds

About cis-(1S,2R)-1,2-dimethylcyclopentane

cis-(1S,2R)-1,2-dimethylcyclopentane (PubChem CID 14498) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is cis-(1S,2R)-1,2-dimethylcyclopentane.

Molecular Properties

Compound Namecis-(1S,2R)-1,2-dimethylcyclopentane
PubChem CID14498
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Namecis-(1S,2R)-1,2-dimethylcyclopentane
SMILESC[C@@H]1CCC[C@@H]1C
InChIInChI=1S/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7+
InChIKeyRIRARCHMRDHZAR-KNVOCYPGSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 15431
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CID 17779
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CID 35368
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CID 252359
CID 252359
CID 6432144
CID 6432144
CID 13598
CID 13598
CID 316554
CID 316554
CID 6432778
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CID 136729
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CID 641612
CID 641612

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1,2-dimethylcyclopentane?
The IUPAC name of cis-(1S,2R)-1,2-dimethylcyclopentane (CID 14498) is cis-(1S,2R)-1,2-dimethylcyclopentane.
What is the SMILES notation for cis-(1S,2R)-1,2-dimethylcyclopentane?
The canonical SMILES for cis-(1S,2R)-1,2-dimethylcyclopentane is C[C@@H]1CCC[C@@H]1C.
What is the InChIKey of cis-(1S,2R)-1,2-dimethylcyclopentane?
The InChIKey is RIRARCHMRDHZAR-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7+.
What are the key properties of cis-(1S,2R)-1,2-dimethylcyclopentane?
cis-(1S,2R)-1,2-dimethylcyclopentane has a molecular weight of 98.19 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1,2-dimethylcyclopentane is sourced from PubChem (CID 14498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).